4-methoxy-2-(methoxymethyl)-5-methyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide

C16H22N4O3S — CID 119427704

IUPAC4-methoxy-2-(methoxymethyl)-5-methyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NC3CCCNC3)sc2n1
InChIInChI=1S/C16H22N4O3S/c1-9-12-15(23-3)19-11(8-22-2)20-16(12)24-13(9)14(21)18-10-5-4-6-17-7-10/h10,17H,4-8H2,1-3H3,(H,18,21)
InChIKeyZTCSPCBDKUWDLR-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.64
Rot. Bonds5

About 4-methoxy-2-(methoxymethyl)-5-methyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide

4-methoxy-2-(methoxymethyl)-5-methyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 119427704) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-methoxy-2-(methoxymethyl)-5-methyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-methoxy-2-(methoxymethyl)-5-methyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID119427704
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name4-methoxy-2-(methoxymethyl)-5-methyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NC3CCCNC3)sc2n1
InChIInChI=1S/C16H22N4O3S/c1-9-12-15(23-3)19-11(8-22-2)20-16(12)24-13(9)14(21)18-10-5-4-6-17-7-10/h10,17H,4-8H2,1-3H3,(H,18,21)
InChIKeyZTCSPCBDKUWDLR-UHFFFAOYSA-N
XLogP1.64
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 86921687
4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 56569085
4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55847583
N-(1-benzylpyrrolidin-3-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55461644
4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55844007
1-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 119176489
4-methoxy-2-(methoxymethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 134061802
4-methoxy-2-(methoxymethyl)-5-methyl-N-[(6S)-3-nitro-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 97341998
[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541226
4-methoxy-2-(methoxymethyl)-5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 154762820
4-methoxy-2-(methoxymethyl)-5-methyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 17410371
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55847360

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide (CID 119427704) is 4-methoxy-2-(methoxymethyl)-5-methyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-methoxy-2-(methoxymethyl)-5-methyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-methoxy-2-(methoxymethyl)-5-methyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)NC3CCCNC3)sc2n1.
What is the InChIKey of 4-methoxy-2-(methoxymethyl)-5-methyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZTCSPCBDKUWDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-9-12-15(23-3)19-11(8-22-2)20-16(12)24-13(9)14(21)18-10-5-4-6-17-7-10/h10,17H,4-8H2,1-3H3,(H,18,21).
What are the key properties of 4-methoxy-2-(methoxymethyl)-5-methyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide?
4-methoxy-2-(methoxymethyl)-5-methyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(methoxymethyl)-5-methyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 119427704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).