7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;bis(7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one);7-(8-methylnaphthalen-1-yl)-2-methylsulfanyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;7-(8-methylnaphthalen-1-yl)-2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

C131H135N13O15S2 — CID 167676378

IUPAC7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;bis(7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one);7-(8-methylnaphthalen-1-yl)-2-methylsulfanyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;7-(8-methylnaphthalen-1-yl)-2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESCSc1nc2c(c(OCc3ccccc3)n1)COC(c1cccc3cccc(C)c13)C2.Cc1cccc2cccc(C3Cc4nc(OC[C@@H]5CCCN5C)[nH]c(=O)c4CO3)c12.Cc1cccc2cccc(C3Cc4nc(OC[C@@H]5CCCN5C)[nH]c(=O)c4CO3)c12.Cc1cccc2cccc(C3Cc4nc(OC[C@@H]5CCCN5C)nc(OCc5ccccc5)c4CO3)c12.Cc1cccc2cccc(C3Cc4nc(S(C)(=O)=O)nc(OCc5ccccc5)c4CO3)c12
InChIInChI=1S/C31H33N3O3.C26H24N2O4S.C26H24N2O2S.2C24H27N3O3/c1-21-9-6-12-23-13-7-15-25(29(21)23)28-17-27-26(20-35-28)30(36-18-22-10-4-3-5-11-22)33-31(32-27)37-19-24-14-8-16-34(24)2;1-17-8-6-11-19-12-7-13-20(24(17)19)23-14-22-21(16-31-23)25(28-26(27-22)33(2,29)30)32-15-18-9-4-3-5-10-18;1-17-8-6-11-19-12-7-13-20(24(17)19)23-14-22-21(16-29-23)25(28-26(27-22)31-2)30-15-18-9-4-3-5-10-18;2*1-15-6-3-7-16-8-4-10-18(22(15)16)21-12-20-19(14-29-21)23(28)26-24(25-20)30-13-17-9-5-11-27(17)2/h3-7,9-13,15,24,28H,8,14,16-20H2,1-2H3;3-13,23H,14-16H2,1-2H3;3-13,23H,14-16H2,1-2H3;2*3-4,6-8,10,17,21H,5,9,11-14H2,1-2H3,(H,25,26,28)/t24-,28?;;;2*17-,21?/m0..00/s1
InChIKeyUWKOKNWCXLJKLB-YEZNXSMVSA-N
MW2195.73 g/mol
LogP23.63
Rot. Bonds25

About 7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;bis(7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one);7-(8-methylnaphthalen-1-yl)-2-methylsulfanyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;7-(8-methylnaphthalen-1-yl)-2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;bis(7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one);7-(8-methylnaphthalen-1-yl)-2-methylsulfanyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;7-(8-methylnaphthalen-1-yl)-2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 167676378) has the molecular formula C131H135N13O15S2 and a molecular weight of 2195.73 g/mol. Its IUPAC name is 7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;bis(7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one);7-(8-methylnaphthalen-1-yl)-2-methylsulfanyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;7-(8-methylnaphthalen-1-yl)-2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;bis(7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one);7-(8-methylnaphthalen-1-yl)-2-methylsulfanyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;7-(8-methylnaphthalen-1-yl)-2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID167676378
Molecular FormulaC131H135N13O15S2
Molecular Weight2195.73 g/mol
Exact Mass2193.96
IUPAC Name7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;bis(7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one);7-(8-methylnaphthalen-1-yl)-2-methylsulfanyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;7-(8-methylnaphthalen-1-yl)-2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESCSc1nc2c(c(OCc3ccccc3)n1)COC(c1cccc3cccc(C)c13)C2.Cc1cccc2cccc(C3Cc4nc(OC[C@@H]5CCCN5C)[nH]c(=O)c4CO3)c12.Cc1cccc2cccc(C3Cc4nc(OC[C@@H]5CCCN5C)[nH]c(=O)c4CO3)c12.Cc1cccc2cccc(C3Cc4nc(OC[C@@H]5CCCN5C)nc(OCc5ccccc5)c4CO3)c12.Cc1cccc2cccc(C3Cc4nc(S(C)(=O)=O)nc(OCc5ccccc5)c4CO3)c12
InChIInChI=1S/C31H33N3O3.C26H24N2O4S.C26H24N2O2S.2C24H27N3O3/c1-21-9-6-12-23-13-7-15-25(29(21)23)28-17-27-26(20-35-28)30(36-18-22-10-4-3-5-11-22)33-31(32-27)37-19-24-14-8-16-34(24)2;1-17-8-6-11-19-12-7-13-20(24(17)19)23-14-22-21(16-31-23)25(28-26(27-22)33(2,29)30)32-15-18-9-4-3-5-10-18;1-17-8-6-11-19-12-7-13-20(24(17)19)23-14-22-21(16-29-23)25(28-26(27-22)31-2)30-15-18-9-4-3-5-10-18;2*1-15-6-3-7-16-8-4-10-18(22(15)16)21-12-20-19(14-29-21)23(28)26-24(25-20)30-13-17-9-5-11-27(17)2/h3-7,9-13,15,24,28H,8,14,16-20H2,1-2H3;3-13,23H,14-16H2,1-2H3;3-13,23H,14-16H2,1-2H3;2*3-4,6-8,10,17,21H,5,9,11-14H2,1-2H3,(H,25,26,28)/t24-,28?;;;2*17-,21?/m0..00/s1
InChIKeyUWKOKNWCXLJKLB-YEZNXSMVSA-N
XLogP23.63
TPSA314.23 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002195.73
LogP ≤ 523.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Analyze 7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;bis(7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one);7-(8-methylnaphthalen-1-yl)-2-methylsulfanyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;7-(8-methylnaphthalen-1-yl)-2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;bis(7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one);7-(8-methylnaphthalen-1-yl)-2-methylsulfanyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;7-(8-methylnaphthalen-1-yl)-2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;bis(7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one);7-(8-methylnaphthalen-1-yl)-2-methylsulfanyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;7-(8-methylnaphthalen-1-yl)-2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 167676378) is 7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;bis(7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one);7-(8-methylnaphthalen-1-yl)-2-methylsulfanyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;7-(8-methylnaphthalen-1-yl)-2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;bis(7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one);7-(8-methylnaphthalen-1-yl)-2-methylsulfanyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;7-(8-methylnaphthalen-1-yl)-2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;bis(7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one);7-(8-methylnaphthalen-1-yl)-2-methylsulfanyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;7-(8-methylnaphthalen-1-yl)-2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is CSc1nc2c(c(OCc3ccccc3)n1)COC(c1cccc3cccc(C)c13)C2.Cc1cccc2cccc(C3Cc4nc(OC[C@@H]5CCCN5C)[nH]c(=O)c4CO3)c12.Cc1cccc2cccc(C3Cc4nc(OC[C@@H]5CCCN5C)[nH]c(=O)c4CO3)c12.Cc1cccc2cccc(C3Cc4nc(OC[C@@H]5CCCN5C)nc(OCc5ccccc5)c4CO3)c12.Cc1cccc2cccc(C3Cc4nc(S(C)(=O)=O)nc(OCc5ccccc5)c4CO3)c12.
What is the InChIKey of 7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;bis(7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one);7-(8-methylnaphthalen-1-yl)-2-methylsulfanyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;7-(8-methylnaphthalen-1-yl)-2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is UWKOKNWCXLJKLB-YEZNXSMVSA-N. The full InChI is InChI=1S/C31H33N3O3.C26H24N2O4S.C26H24N2O2S.2C24H27N3O3/c1-21-9-6-12-23-13-7-15-25(29(21)23)28-17-27-26(20-35-28)30(36-18-22-10-4-3-5-11-22)33-31(32-27)37-19-24-14-8-16-34(24)2;1-17-8-6-11-19-12-7-13-20(24(17)19)23-14-22-21(16-31-23)25(28-26(27-22)33(2,29)30)32-15-18-9-4-3-5-10-18;1-17-8-6-11-19-12-7-13-20(24(17)19)23-14-22-21(16-29-23)25(28-26(27-22)31-2)30-15-18-9-4-3-5-10-18;2*1-15-6-3-7-16-8-4-10-18(22(15)16)21-12-20-19(14-29-21)23(28)26-24(25-20)30-13-17-9-5-11-27(17)2/h3-7,9-13,15,24,28H,8,14,16-20H2,1-2H3;3-13,23H,14-16H2,1-2H3;3-13,23H,14-16H2,1-2H3;2*3-4,6-8,10,17,21H,5,9,11-14H2,1-2H3,(H,25,26,28)/t24-,28?;;;2*17-,21?/m0..00/s1.
What are the key properties of 7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;bis(7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one);7-(8-methylnaphthalen-1-yl)-2-methylsulfanyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;7-(8-methylnaphthalen-1-yl)-2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;bis(7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one);7-(8-methylnaphthalen-1-yl)-2-methylsulfanyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;7-(8-methylnaphthalen-1-yl)-2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 2195.73 g/mol, XLogP of 23.63, 25 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;bis(7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one);7-(8-methylnaphthalen-1-yl)-2-methylsulfanyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;7-(8-methylnaphthalen-1-yl)-2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 167676378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).