N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide

C13H17N5O — CID 119070905

IUPACN-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1nccc(C(=O)NCc2nccn2C)n1
InChIInChI=1S/C13H17N5O/c1-9(2)12-15-5-4-10(17-12)13(19)16-8-11-14-6-7-18(11)3/h4-7,9H,8H2,1-3H3,(H,16,19)
InChIKeyKWOAXNXBULILIH-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.26
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide

N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 119070905) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID119070905
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1nccc(C(=O)NCc2nccn2C)n1
InChIInChI=1S/C13H17N5O/c1-9(2)12-15-5-4-10(17-12)13(19)16-8-11-14-6-7-18(11)3/h4-7,9H,8H2,1-3H3,(H,16,19)
InChIKeyKWOAXNXBULILIH-UHFFFAOYSA-N
XLogP1.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide (CID 119070905) is N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1nccc(C(=O)NCc2nccn2C)n1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is KWOAXNXBULILIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9(2)12-15-5-4-10(17-12)13(19)16-8-11-14-6-7-18(11)3/h4-7,9H,8H2,1-3H3,(H,16,19).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide?
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 119070905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).