1-methyl-2H-pyrimidine-2-carboxamide

C6H9N3O — CID 150865207

IUPAC1-methyl-2H-pyrimidine-2-carboxamide
SMILESCN1C=CC=NC1C(N)=O
InChIInChI=1S/C6H9N3O/c1-9-4-2-3-8-6(9)5(7)10/h2-4,6H,1H3,(H2,7,10)
InChIKeyKSXCGHYOZOARPE-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.67
Rot. Bonds1

About 1-methyl-2H-pyrimidine-2-carboxamide

1-methyl-2H-pyrimidine-2-carboxamide (PubChem CID 150865207) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-methyl-2H-pyrimidine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-2H-pyrimidine-2-carboxamide
PubChem CID150865207
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1-methyl-2H-pyrimidine-2-carboxamide
SMILESCN1C=CC=NC1C(N)=O
InChIInChI=1S/C6H9N3O/c1-9-4-2-3-8-6(9)5(7)10/h2-4,6H,1H3,(H2,7,10)
InChIKeyKSXCGHYOZOARPE-UHFFFAOYSA-N
XLogP-0.67
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-Diazepin-1-yl)acetamide
CID 18001140
2H-pyrimidinecarboxamide
CID 22318737
2-(2H-pyrimidin-1-yl)acetamide
CID 22747793
2-(2-Oxopyrimidin-1-yl)acetamide
CID 43350582
2-amino-1H-pyrimidine-2-carboxamide
CID 67854524
2-(2H-pyrimidin-1-yl)propanamide
CID 69856132
2H-pyrimidinecarboxamide chloride
CID 86742628
7-Methyl-8,9a-dihydropyrazino[1,2-a]pyrimidin-9-one
CID 89304798
2-methyl-1H-pyrimidine-2-carboxamide
CID 140047876
2H-pyrimidine-1,2-dicarboxamide
CID 141442073
N-methyl-1,2-dihydropyrimidine-2-carboxamide
CID 150983515
1-amino-2H-pyrimidine-2-carboxamide
CID 151263393

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2H-pyrimidine-2-carboxamide?
The IUPAC name of 1-methyl-2H-pyrimidine-2-carboxamide (CID 150865207) is 1-methyl-2H-pyrimidine-2-carboxamide.
What is the SMILES notation for 1-methyl-2H-pyrimidine-2-carboxamide?
The canonical SMILES for 1-methyl-2H-pyrimidine-2-carboxamide is CN1C=CC=NC1C(N)=O.
What is the InChIKey of 1-methyl-2H-pyrimidine-2-carboxamide?
The InChIKey is KSXCGHYOZOARPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-9-4-2-3-8-6(9)5(7)10/h2-4,6H,1H3,(H2,7,10).
What are the key properties of 1-methyl-2H-pyrimidine-2-carboxamide?
1-methyl-2H-pyrimidine-2-carboxamide has a molecular weight of 139.16 g/mol, XLogP of -0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2H-pyrimidine-2-carboxamide is sourced from PubChem (CID 150865207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).