4-amino-2-(3-methyl-2-pyridinyl)pyrimidine-5-carboxamide

C11H11N5O — CID 116647886

IUPAC4-amino-2-(3-methyl-2-pyridinyl)pyrimidine-5-carboxamide
SMILESCc1cccnc1-c1ncc(C(N)=O)c(N)n1
InChIInChI=1S/C11H11N5O/c1-6-3-2-4-14-8(6)11-15-5-7(10(13)17)9(12)16-11/h2-5H,1H3,(H2,13,17)(H2,12,15,16)
InChIKeyTZOMOSZOKAXEMG-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.53
Rot. Bonds2

About 4-amino-2-(3-methyl-2-pyridinyl)pyrimidine-5-carboxamide

4-amino-2-(3-methyl-2-pyridinyl)pyrimidine-5-carboxamide (PubChem CID 116647886) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-amino-2-(3-methyl-2-pyridinyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(3-methyl-2-pyridinyl)pyrimidine-5-carboxamide
PubChem CID116647886
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name4-amino-2-(3-methyl-2-pyridinyl)pyrimidine-5-carboxamide
SMILESCc1cccnc1-c1ncc(C(N)=O)c(N)n1
InChIInChI=1S/C11H11N5O/c1-6-3-2-4-14-8(6)11-15-5-7(10(13)17)9(12)16-11/h2-5H,1H3,(H2,13,17)(H2,12,15,16)
InChIKeyTZOMOSZOKAXEMG-UHFFFAOYSA-N
XLogP0.53
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-6-methyl-2-(3-methyl-2-pyridinyl)pyrimidine-5-carboxamide
CID 116648075
4-amino-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 83567501
4-amino-2-pyrazin-2-ylpyrimidine-5-carboxamide
CID 116647862
2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 62192811
4-amino-2-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 116647848
ethyl 2-(3-ethyl-2-pyridinyl)-4-methylpyrimidine-5-carboxylate
CID 102972459
2-pyrimidin-2-ylpyridine-3-carboxamide
CID 154307272
4-amino-2-(1H-indol-4-yl)pyrimidine-5-carboxamide
CID 90082572
4-amino-2-(2-nitrophenyl)pyrimidine-5-carboxamide
CID 116647923
5-bromo-6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 66304809
4-amino-2-(2-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 83567123
6-methyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 62192081

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-methyl-2-pyridinyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(3-methyl-2-pyridinyl)pyrimidine-5-carboxamide (CID 116647886) is 4-amino-2-(3-methyl-2-pyridinyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(3-methyl-2-pyridinyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(3-methyl-2-pyridinyl)pyrimidine-5-carboxamide is Cc1cccnc1-c1ncc(C(N)=O)c(N)n1.
What is the InChIKey of 4-amino-2-(3-methyl-2-pyridinyl)pyrimidine-5-carboxamide?
The InChIKey is TZOMOSZOKAXEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-6-3-2-4-14-8(6)11-15-5-7(10(13)17)9(12)16-11/h2-5H,1H3,(H2,13,17)(H2,12,15,16).
What are the key properties of 4-amino-2-(3-methyl-2-pyridinyl)pyrimidine-5-carboxamide?
4-amino-2-(3-methyl-2-pyridinyl)pyrimidine-5-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-methyl-2-pyridinyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 116647886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).