N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide

C19H16N6O4S — CID 137429363

IUPACN-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cnc(CNC(=O)c2c(C)sc3c(=O)[nH]c(-c4ccccn4)nc23)[nH]c1=O
InChIInChI=1S/C19H16N6O4S/c1-9-13(18(27)22-8-12-21-7-11(29-2)17(26)23-12)14-15(30-9)19(28)25-16(24-14)10-5-3-4-6-20-10/h3-7H,8H2,1-2H3,(H,22,27)(H,21,23,26)(H,24,25,28)
InChIKeyHVOQUFHHKCTPPM-UHFFFAOYSA-N
MW424.44 g/mol
LogP1.38
Rot. Bonds5

About N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide

N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 137429363) has the molecular formula C19H16N6O4S and a molecular weight of 424.44 g/mol. Its IUPAC name is N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID137429363
Molecular FormulaC19H16N6O4S
Molecular Weight424.44 g/mol
Exact Mass424.10
IUPAC NameN-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cnc(CNC(=O)c2c(C)sc3c(=O)[nH]c(-c4ccccn4)nc23)[nH]c1=O
InChIInChI=1S/C19H16N6O4S/c1-9-13(18(27)22-8-12-21-7-11(29-2)17(26)23-12)14-15(30-9)19(28)25-16(24-14)10-5-3-4-6-20-10/h3-7H,8H2,1-2H3,(H,22,27)(H,21,23,26)(H,24,25,28)
InChIKeyHVOQUFHHKCTPPM-UHFFFAOYSA-N
XLogP1.38
TPSA142.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide (CID 137429363) is N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide is COc1cnc(CNC(=O)c2c(C)sc3c(=O)[nH]c(-c4ccccn4)nc23)[nH]c1=O.
What is the InChIKey of N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is HVOQUFHHKCTPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O4S/c1-9-13(18(27)22-8-12-21-7-11(29-2)17(26)23-12)14-15(30-9)19(28)25-16(24-14)10-5-3-4-6-20-10/h3-7H,8H2,1-2H3,(H,22,27)(H,21,23,26)(H,24,25,28).
What are the key properties of N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide?
N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 424.44 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 137429363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).