1-(6-amino-2-methylpyrimidin-4-yl)pyrazole-3-carboxamide

C9H10N6O — CID 80867928

IUPAC1-(6-amino-2-methylpyrimidin-4-yl)pyrazole-3-carboxamide
SMILESCc1nc(N)cc(-n2ccc(C(N)=O)n2)n1
InChIInChI=1S/C9H10N6O/c1-5-12-7(10)4-8(13-5)15-3-2-6(14-15)9(11)16/h2-4H,1H3,(H2,11,16)(H2,10,12,13)
InChIKeyKDVSNZLJNSURAD-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.35
Rot. Bonds2

About 1-(6-amino-2-methylpyrimidin-4-yl)pyrazole-3-carboxamide

1-(6-amino-2-methylpyrimidin-4-yl)pyrazole-3-carboxamide (PubChem CID 80867928) has the molecular formula C9H10N6O and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-(6-amino-2-methylpyrimidin-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(6-amino-2-methylpyrimidin-4-yl)pyrazole-3-carboxamide
PubChem CID80867928
Molecular FormulaC9H10N6O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name1-(6-amino-2-methylpyrimidin-4-yl)pyrazole-3-carboxamide
SMILESCc1nc(N)cc(-n2ccc(C(N)=O)n2)n1
InChIInChI=1S/C9H10N6O/c1-5-12-7(10)4-8(13-5)15-3-2-6(14-15)9(11)16/h2-4H,1H3,(H2,11,16)(H2,10,12,13)
InChIKeyKDVSNZLJNSURAD-UHFFFAOYSA-N
XLogP-0.35
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2-methylpyrimidin-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(6-amino-2-methylpyrimidin-4-yl)pyrazole-3-carboxamide (CID 80867928) is 1-(6-amino-2-methylpyrimidin-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(6-amino-2-methylpyrimidin-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(6-amino-2-methylpyrimidin-4-yl)pyrazole-3-carboxamide is Cc1nc(N)cc(-n2ccc(C(N)=O)n2)n1.
What is the InChIKey of 1-(6-amino-2-methylpyrimidin-4-yl)pyrazole-3-carboxamide?
The InChIKey is KDVSNZLJNSURAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O/c1-5-12-7(10)4-8(13-5)15-3-2-6(14-15)9(11)16/h2-4H,1H3,(H2,11,16)(H2,10,12,13).
What are the key properties of 1-(6-amino-2-methylpyrimidin-4-yl)pyrazole-3-carboxamide?
1-(6-amino-2-methylpyrimidin-4-yl)pyrazole-3-carboxamide has a molecular weight of 218.22 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2-methylpyrimidin-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 80867928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).