N-(4-propan-2-ylpyrimidin-5-yl)-1H-imidazole-2-carboxamide

C11H13N5O — CID 19021680

IUPACN-(4-propan-2-ylpyrimidin-5-yl)-1H-imidazole-2-carboxamide
SMILESCC(C)c1ncncc1NC(=O)c1ncc[nH]1
InChIInChI=1S/C11H13N5O/c1-7(2)9-8(5-12-6-15-9)16-11(17)10-13-3-4-14-10/h3-7H,1-2H3,(H,13,14)(H,16,17)
InChIKeyKYPOKGOCOCOWEC-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.58
Rot. Bonds3

About N-(4-propan-2-ylpyrimidin-5-yl)-1H-imidazole-2-carboxamide

N-(4-propan-2-ylpyrimidin-5-yl)-1H-imidazole-2-carboxamide (PubChem CID 19021680) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-(4-propan-2-ylpyrimidin-5-yl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylpyrimidin-5-yl)-1H-imidazole-2-carboxamide
PubChem CID19021680
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-(4-propan-2-ylpyrimidin-5-yl)-1H-imidazole-2-carboxamide
SMILESCC(C)c1ncncc1NC(=O)c1ncc[nH]1
InChIInChI=1S/C11H13N5O/c1-7(2)9-8(5-12-6-15-9)16-11(17)10-13-3-4-14-10/h3-7H,1-2H3,(H,13,14)(H,16,17)
InChIKeyKYPOKGOCOCOWEC-UHFFFAOYSA-N
XLogP1.58
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylpyrimidin-5-yl)-1H-imidazole-2-carboxamide?
The IUPAC name of N-(4-propan-2-ylpyrimidin-5-yl)-1H-imidazole-2-carboxamide (CID 19021680) is N-(4-propan-2-ylpyrimidin-5-yl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylpyrimidin-5-yl)-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(4-propan-2-ylpyrimidin-5-yl)-1H-imidazole-2-carboxamide is CC(C)c1ncncc1NC(=O)c1ncc[nH]1.
What is the InChIKey of N-(4-propan-2-ylpyrimidin-5-yl)-1H-imidazole-2-carboxamide?
The InChIKey is KYPOKGOCOCOWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7(2)9-8(5-12-6-15-9)16-11(17)10-13-3-4-14-10/h3-7H,1-2H3,(H,13,14)(H,16,17).
What are the key properties of N-(4-propan-2-ylpyrimidin-5-yl)-1H-imidazole-2-carboxamide?
N-(4-propan-2-ylpyrimidin-5-yl)-1H-imidazole-2-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylpyrimidin-5-yl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 19021680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).