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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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).