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

C18H14N6O4S — CID 137429385

IUPACN-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cnc(CNC(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[nH]c1=O
InChIInChI=1S/C18H14N6O4S/c1-28-11-6-20-12(22-17(11)26)7-21-16(25)9-8-29-14-13(9)23-15(24-18(14)27)10-4-2-3-5-19-10/h2-6,8H,7H2,1H3,(H,21,25)(H,20,22,26)(H,23,24,27)
InChIKeyKDCKNUSMPRMJKU-UHFFFAOYSA-N
MW410.42 g/mol
LogP1.07
Rot. Bonds5

About N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)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]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 137429385) has the molecular formula C18H14N6O4S and a molecular weight of 410.42 g/mol. Its IUPAC name is N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)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]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID137429385
Molecular FormulaC18H14N6O4S
Molecular Weight410.42 g/mol
Exact Mass410.08
IUPAC NameN-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cnc(CNC(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[nH]c1=O
InChIInChI=1S/C18H14N6O4S/c1-28-11-6-20-12(22-17(11)26)7-21-16(25)9-8-29-14-13(9)23-15(24-18(14)27)10-4-2-3-5-19-10/h2-6,8H,7H2,1H3,(H,21,25)(H,20,22,26)(H,23,24,27)
InChIKeyKDCKNUSMPRMJKU-UHFFFAOYSA-N
XLogP1.07
TPSA142.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)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]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide (CID 137429385) is N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)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]-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]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide is COc1cnc(CNC(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[nH]c1=O.
What is the InChIKey of N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is KDCKNUSMPRMJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O4S/c1-28-11-6-20-12(22-17(11)26)7-21-16(25)9-8-29-14-13(9)23-15(24-18(14)27)10-4-2-3-5-19-10/h2-6,8H,7H2,1H3,(H,21,25)(H,20,22,26)(H,23,24,27).
What are the key properties of N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)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]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 410.42 g/mol, XLogP of 1.07, 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]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 137429385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).