N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-[4-(dimethylamino)pyrimidin-2-yl]benzamide

C21H24N6O — CID 122570319

IUPACN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-[4-(dimethylamino)pyrimidin-2-yl]benzamide
SMILESCN(C)c1ccnc(-c2ccc(C(=O)NC(c3nccn3C)C3CC3)cc2)n1
InChIInChI=1S/C21H24N6O/c1-26(2)17-10-11-22-19(24-17)15-6-8-16(9-7-15)21(28)25-18(14-4-5-14)20-23-12-13-27(20)3/h6-14,18H,4-5H2,1-3H3,(H,25,28)
InChIKeyCOWANFRGSJBXTA-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.82
Rot. Bonds6

About N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-[4-(dimethylamino)pyrimidin-2-yl]benzamide

N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-[4-(dimethylamino)pyrimidin-2-yl]benzamide (PubChem CID 122570319) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-[4-(dimethylamino)pyrimidin-2-yl]benzamide.

Molecular Properties

Compound NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-[4-(dimethylamino)pyrimidin-2-yl]benzamide
PubChem CID122570319
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-[4-(dimethylamino)pyrimidin-2-yl]benzamide
SMILESCN(C)c1ccnc(-c2ccc(C(=O)NC(c3nccn3C)C3CC3)cc2)n1
InChIInChI=1S/C21H24N6O/c1-26(2)17-10-11-22-19(24-17)15-6-8-16(9-7-15)21(28)25-18(14-4-5-14)20-23-12-13-27(20)3/h6-14,18H,4-5H2,1-3H3,(H,25,28)
InChIKeyCOWANFRGSJBXTA-UHFFFAOYSA-N
XLogP2.82
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-[4-(dimethylamino)pyrimidin-2-yl]benzamide?
The IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-[4-(dimethylamino)pyrimidin-2-yl]benzamide (CID 122570319) is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-[4-(dimethylamino)pyrimidin-2-yl]benzamide.
What is the SMILES notation for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-[4-(dimethylamino)pyrimidin-2-yl]benzamide?
The canonical SMILES for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-[4-(dimethylamino)pyrimidin-2-yl]benzamide is CN(C)c1ccnc(-c2ccc(C(=O)NC(c3nccn3C)C3CC3)cc2)n1.
What is the InChIKey of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-[4-(dimethylamino)pyrimidin-2-yl]benzamide?
The InChIKey is COWANFRGSJBXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-26(2)17-10-11-22-19(24-17)15-6-8-16(9-7-15)21(28)25-18(14-4-5-14)20-23-12-13-27(20)3/h6-14,18H,4-5H2,1-3H3,(H,25,28).
What are the key properties of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-[4-(dimethylamino)pyrimidin-2-yl]benzamide?
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-[4-(dimethylamino)pyrimidin-2-yl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-[4-(dimethylamino)pyrimidin-2-yl]benzamide is sourced from PubChem (CID 122570319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).