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Pyrimidine-4-carboxamide, 37

C15H14N6OS — CID 11404621

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESCc1cccnc1CNC(=O)c1cc(-c2nccs2)nc(N)n1
InChIInChI=1S/C15H14N6OS/c1-9-3-2-4-17-12(9)8-19-13(22)10-7-11(21-15(16)20-10)14-18-5-6-23-14/h2-7H,8H2,1H3,(H,19,22)(H2,16,20,21)
InChIKeyZIBFIKFAZLBDKX-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.82
Rot. Bonds4

About Pyrimidine-4-carboxamide, 37

Pyrimidine-4-carboxamide, 37 (PubChem CID 11404621) has the molecular formula C15H14N6OS and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NamePyrimidine-4-carboxamide, 37
PubChem CID11404621
Molecular FormulaC15H14N6OS
Molecular Weight326.39 g/mol
Exact Mass326.09
IUPAC Name2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESCc1cccnc1CNC(=O)c1cc(-c2nccs2)nc(N)n1
InChIInChI=1S/C15H14N6OS/c1-9-3-2-4-17-12(9)8-19-13(22)10-7-11(21-15(16)20-10)14-18-5-6-23-14/h2-7H,8H2,1H3,(H,19,22)(H2,16,20,21)
InChIKeyZIBFIKFAZLBDKX-UHFFFAOYSA-N
XLogP1.82
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of Pyrimidine-4-carboxamide, 37?
The IUPAC name of Pyrimidine-4-carboxamide, 37 (CID 11404621) is 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for Pyrimidine-4-carboxamide, 37?
The canonical SMILES for Pyrimidine-4-carboxamide, 37 is Cc1cccnc1CNC(=O)c1cc(-c2nccs2)nc(N)n1.
What is the InChIKey of Pyrimidine-4-carboxamide, 37?
The InChIKey is ZIBFIKFAZLBDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS/c1-9-3-2-4-17-12(9)8-19-13(22)10-7-11(21-15(16)20-10)14-18-5-6-23-14/h2-7H,8H2,1H3,(H,19,22)(H2,16,20,21).
What are the key properties of Pyrimidine-4-carboxamide, 37?
Pyrimidine-4-carboxamide, 37 has a molecular weight of 326.39 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Pyrimidine-4-carboxamide, 37 is sourced from PubChem (CID 11404621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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