N-[[8-(2-chloro-4,6-dimethylphenyl)-2-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine

C23H30ClF3N4 — CID 20780264

About N-[[8-(2-chloro-4,6-dimethylphenyl)-2-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine

N-[[8-(2-chloro-4,6-dimethylphenyl)-2-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine (PubChem CID 20780264) has the molecular formula C23H30ClF3N4 and a molecular weight of 454.97 g/mol. Its IUPAC name is N-[[8-(2-chloro-4,6-dimethylphenyl)-2-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine.

Molecular Properties

• Compound Name: N-[[8-(2-chloro-4,6-dimethylphenyl)-2-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
• PubChem CID: 20780264
• Molecular Formula: C23H30ClF3N4
• Molecular Weight: 454.97 g/mol
• Exact Mass: 454.21
• IUPAC Name: N-[[8-(2-chloro-4,6-dimethylphenyl)-2-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
• SMILES: CCCN(Cc1c(C(F)(F)F)nc2n1CCCN2c1c(C)cc(C)cc1Cl)CC1CC1
• InChI: InChI=1S/C23H30ClF3N4/c1-4-8-29(13-17-6-7-17)14-19-21(23(25,26)27)28-22-30(19)9-5-10-31(22)20-16(3)11-15(2)12-18(20)24/h11-12,17H,4-10,13-14H2,1-3H3
• InChIKey: CEHIGGMHUVXCMY-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.97
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[8-(2-chloro-4,6-dimethylphenyl)-2-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine?

The IUPAC name of N-[[8-(2-chloro-4,6-dimethylphenyl)-2-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine (CID 20780264) is N-[[8-(2-chloro-4,6-dimethylphenyl)-2-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine.

What is the SMILES notation for N-[[8-(2-chloro-4,6-dimethylphenyl)-2-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine?

The canonical SMILES for N-[[8-(2-chloro-4,6-dimethylphenyl)-2-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine is CCCN(Cc1c(C(F)(F)F)nc2n1CCCN2c1c(C)cc(C)cc1Cl)CC1CC1.

What is the InChIKey of N-[[8-(2-chloro-4,6-dimethylphenyl)-2-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine?

The InChIKey is CEHIGGMHUVXCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClF3N4/c1-4-8-29(13-17-6-7-17)14-19-21(23(25,26)27)28-22-30(19)9-5-10-31(22)20-16(3)11-15(2)12-18(20)24/h11-12,17H,4-10,13-14H2,1-3H3.

What are the key properties of N-[[8-(2-chloro-4,6-dimethylphenyl)-2-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine?

N-[[8-(2-chloro-4,6-dimethylphenyl)-2-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine has a molecular weight of 454.97 g/mol, XLogP of 6.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[8-(2-chloro-4,6-dimethylphenyl)-2-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine is sourced from PubChem (CID 20780264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).