2-chloro-4-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidine-4,5-diamine

C15H19ClF3N7 — CID 165135193

IUPAC2-chloro-4-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidine-4,5-diamine
SMILESCn1cc(C(F)(F)F)nc1N1CCC(CNc2nc(Cl)ncc2N)CC1
InChIInChI=1S/C15H19ClF3N7/c1-25-8-11(15(17,18)19)23-14(25)26-4-2-9(3-5-26)6-21-12-10(20)7-22-13(16)24-12/h7-9H,2-6,20H2,1H3,(H,21,22,24)
InChIKeyHEKUYQYSUUOLKH-UHFFFAOYSA-N
MW389.81 g/mol
LogP2.79
Rot. Bonds4

About 2-chloro-4-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidine-4,5-diamine

2-chloro-4-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidine-4,5-diamine (PubChem CID 165135193) has the molecular formula C15H19ClF3N7 and a molecular weight of 389.81 g/mol. Its IUPAC name is 2-chloro-4-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-4-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidine-4,5-diamine
PubChem CID165135193
Molecular FormulaC15H19ClF3N7
Molecular Weight389.81 g/mol
Exact Mass389.13
IUPAC Name2-chloro-4-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidine-4,5-diamine
SMILESCn1cc(C(F)(F)F)nc1N1CCC(CNc2nc(Cl)ncc2N)CC1
InChIInChI=1S/C15H19ClF3N7/c1-25-8-11(15(17,18)19)23-14(25)26-4-2-9(3-5-26)6-21-12-10(20)7-22-13(16)24-12/h7-9H,2-6,20H2,1H3,(H,21,22,24)
InChIKeyHEKUYQYSUUOLKH-UHFFFAOYSA-N
XLogP2.79
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-chloro-4-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidine-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-4-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidine-4,5-diamine (CID 165135193) is 2-chloro-4-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-4-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-4-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidine-4,5-diamine is Cn1cc(C(F)(F)F)nc1N1CCC(CNc2nc(Cl)ncc2N)CC1.
What is the InChIKey of 2-chloro-4-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidine-4,5-diamine?
The InChIKey is HEKUYQYSUUOLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3N7/c1-25-8-11(15(17,18)19)23-14(25)26-4-2-9(3-5-26)6-21-12-10(20)7-22-13(16)24-12/h7-9H,2-6,20H2,1H3,(H,21,22,24).
What are the key properties of 2-chloro-4-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidine-4,5-diamine?
2-chloro-4-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidine-4,5-diamine has a molecular weight of 389.81 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 165135193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).