4-methyl-2-methylsulfinyl-7-(3-phenylmethoxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C26H25N3O2S — CID 153122104

IUPAC4-methyl-2-methylsulfinyl-7-(3-phenylmethoxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCc1nc(S(C)=O)nc2c1CCN(c1cc(OCc3ccccc3)cc3ccccc13)C2
InChIInChI=1S/C26H25N3O2S/c1-18-22-12-13-29(16-24(22)28-26(27-18)32(2)30)25-15-21(14-20-10-6-7-11-23(20)25)31-17-19-8-4-3-5-9-19/h3-11,14-15H,12-13,16-17H2,1-2H3
InChIKeyVVBIROAMTXAXAY-UHFFFAOYSA-N
MW443.57 g/mol
LogP4.82
Rot. Bonds5

About 4-methyl-2-methylsulfinyl-7-(3-phenylmethoxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

4-methyl-2-methylsulfinyl-7-(3-phenylmethoxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 153122104) has the molecular formula C26H25N3O2S and a molecular weight of 443.57 g/mol. Its IUPAC name is 4-methyl-2-methylsulfinyl-7-(3-phenylmethoxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-methylsulfinyl-7-(3-phenylmethoxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID153122104
Molecular FormulaC26H25N3O2S
Molecular Weight443.57 g/mol
Exact Mass443.17
IUPAC Name4-methyl-2-methylsulfinyl-7-(3-phenylmethoxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCc1nc(S(C)=O)nc2c1CCN(c1cc(OCc3ccccc3)cc3ccccc13)C2
InChIInChI=1S/C26H25N3O2S/c1-18-22-12-13-29(16-24(22)28-26(27-18)32(2)30)25-15-21(14-20-10-6-7-11-23(20)25)31-17-19-8-4-3-5-9-19/h3-11,14-15H,12-13,16-17H2,1-2H3
InChIKeyVVBIROAMTXAXAY-UHFFFAOYSA-N
XLogP4.82
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-butan-2-yl]oxy-7-(3-phenylmethoxynaphthalen-1-yl)-N,N-dipropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 142595525
4-[7-[3-(methoxymethoxy)naphthalen-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid
CID 155124622
benzyl 4-[7-(3-phenylmethoxynaphthalen-1-yl)-2-[1-[(2R)-pyrrolidin-2-yl]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 134326014
benzyl 4-[2-[1-[(2S)-1-methylpyrrolidin-2-yl]cyclopropyl]oxy-7-(3-phenylmethoxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 164519880
ethyl 5-[(2S)-2-[[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-7-(3-phenylmethoxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]pentanoate
CID 175833395
benzyl (2S)-2-(cyanomethyl)-4-[7-(3-phenylmethoxynaphthalen-1-yl)-2-[1-[(2R)-pyrrolidin-2-yl]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 175579599
benzyl (2S)-2-(cyanomethyl)-4-[7-[3-(methoxymethoxy)naphthalen-1-yl]-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 164519897
benzyl (2S)-2-(cyanomethyl)-4-[2-[methyl-[[(2S)-1-methylpyrrolidin-2-yl]methyl]amino]-7-(3-phenylmethoxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 155678943
benzyl (2S)-2-(cyanomethyl)-4-[2-[1-[(2R)-1-methylpyrrolidin-2-yl]ethoxy]-7-(3-phenylmethoxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 175579694
benzyl 4-[2-[3-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]propoxy]-7-(3-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 134335881
benzyl 4-[7-(3-methylnaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 4-O-ethyl 3-oxopiperidine-1,4-dicarboxylate;tert-butyl 2-methylsulfanyl-4-oxo-1,2,3,5,6,8-hexahydropyrido[3,4-d]pyrimidine-7-carboxylate
CID 159917387
7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 163223110

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfinyl-7-(3-phenylmethoxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 4-methyl-2-methylsulfinyl-7-(3-phenylmethoxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 153122104) is 4-methyl-2-methylsulfinyl-7-(3-phenylmethoxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-methyl-2-methylsulfinyl-7-(3-phenylmethoxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-methyl-2-methylsulfinyl-7-(3-phenylmethoxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Cc1nc(S(C)=O)nc2c1CCN(c1cc(OCc3ccccc3)cc3ccccc13)C2.
What is the InChIKey of 4-methyl-2-methylsulfinyl-7-(3-phenylmethoxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is VVBIROAMTXAXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2S/c1-18-22-12-13-29(16-24(22)28-26(27-18)32(2)30)25-15-21(14-20-10-6-7-11-23(20)25)31-17-19-8-4-3-5-9-19/h3-11,14-15H,12-13,16-17H2,1-2H3.
What are the key properties of 4-methyl-2-methylsulfinyl-7-(3-phenylmethoxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
4-methyl-2-methylsulfinyl-7-(3-phenylmethoxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 443.57 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfinyl-7-(3-phenylmethoxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 153122104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).