1-[4-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one

C23H28N4O2S — CID 133278968

IUPAC1-[4-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOCc1nc(NC2CCN(C(=O)C(C)C)CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C23H28N4O2S/c1-15(2)23(28)27-11-9-17(10-12-27)24-21-20-18(16-7-5-4-6-8-16)14-30-22(20)26-19(25-21)13-29-3/h4-8,14-15,17H,9-13H2,1-3H3,(H,24,25,26)
InChIKeyCYRNCLUNOAMEMM-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.56
Rot. Bonds6

About 1-[4-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 133278968) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 1-[4-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID133278968
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name1-[4-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOCc1nc(NC2CCN(C(=O)C(C)C)CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C23H28N4O2S/c1-15(2)23(28)27-11-9-17(10-12-27)24-21-20-18(16-7-5-4-6-8-16)14-30-22(20)26-19(25-21)13-29-3/h4-8,14-15,17H,9-13H2,1-3H3,(H,24,25,26)
InChIKeyCYRNCLUNOAMEMM-UHFFFAOYSA-N
XLogP4.56
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methoxymethyl)-5-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133279214
N-[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 133279227
methyl 3-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate
CID 133385745
2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278823
N-ethyl-4-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide
CID 133367069
N-cyclopropyl-1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine
CID 133381214
2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide
CID 133278882
2-(methoxymethyl)-N-[1-(oxolan-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278958
N-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2554418
N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 133447047
2-(methoxymethyl)-N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278714
2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133279130

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one (CID 133278968) is 1-[4-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one is COCc1nc(NC2CCN(C(=O)C(C)C)CC2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 1-[4-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is CYRNCLUNOAMEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-15(2)23(28)27-11-9-17(10-12-27)24-21-20-18(16-7-5-4-6-8-16)14-30-22(20)26-19(25-21)13-29-3/h4-8,14-15,17H,9-13H2,1-3H3,(H,24,25,26).
What are the key properties of 1-[4-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 424.57 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 133278968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).