2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-2-methylpropanamide

C12H15N5O — CID 58654371

IUPAC2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-2-methylpropanamide
SMILESCc1cc(C(C)(C)C(N)=O)nc(-n2ccnc2)n1
InChIInChI=1S/C12H15N5O/c1-8-6-9(12(2,3)10(13)18)16-11(15-8)17-5-4-14-7-17/h4-7H,1-3H3,(H2,13,18)
InChIKeyHBTDALKYYWLQQK-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.73
Rot. Bonds3

About 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-2-methylpropanamide

2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-2-methylpropanamide (PubChem CID 58654371) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-2-methylpropanamide
PubChem CID58654371
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-2-methylpropanamide
SMILESCc1cc(C(C)(C)C(N)=O)nc(-n2ccnc2)n1
InChIInChI=1S/C12H15N5O/c1-8-6-9(12(2,3)10(13)18)16-11(15-8)17-5-4-14-7-17/h4-7H,1-3H3,(H2,13,18)
InChIKeyHBTDALKYYWLQQK-UHFFFAOYSA-N
XLogP0.73
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-2-methylpropanamide?
The IUPAC name of 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-2-methylpropanamide (CID 58654371) is 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-2-methylpropanamide?
The canonical SMILES for 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-2-methylpropanamide is Cc1cc(C(C)(C)C(N)=O)nc(-n2ccnc2)n1.
What is the InChIKey of 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-2-methylpropanamide?
The InChIKey is HBTDALKYYWLQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-6-9(12(2,3)10(13)18)16-11(15-8)17-5-4-14-7-17/h4-7H,1-3H3,(H2,13,18).
What are the key properties of 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-2-methylpropanamide?
2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-2-methylpropanamide has a molecular weight of 245.29 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-2-methylpropanamide is sourced from PubChem (CID 58654371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).