N-(3-chlorophenyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine

C17H14ClF3N6 — CID 21080660

IUPACN-(3-chlorophenyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(Nc2cccc(Cl)c2)nc1N1CCc2nc[nH]c2C1
InChIInChI=1S/C17H14ClF3N6/c18-10-2-1-3-11(6-10)25-16-22-7-12(17(19,20)21)15(26-16)27-5-4-13-14(8-27)24-9-23-13/h1-3,6-7,9H,4-5,8H2,(H,23,24)(H,22,25,26)
InChIKeyWUVSLOWPNMDOIB-UHFFFAOYSA-N
MW394.79 g/mol
LogP4.18
Rot. Bonds3

About N-(3-chlorophenyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine

N-(3-chlorophenyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 21080660) has the molecular formula C17H14ClF3N6 and a molecular weight of 394.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID21080660
Molecular FormulaC17H14ClF3N6
Molecular Weight394.79 g/mol
Exact Mass394.09
IUPAC NameN-(3-chlorophenyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(Nc2cccc(Cl)c2)nc1N1CCc2nc[nH]c2C1
InChIInChI=1S/C17H14ClF3N6/c18-10-2-1-3-11(6-10)25-16-22-7-12(17(19,20)21)15(26-16)27-5-4-13-14(8-27)24-9-23-13/h1-3,6-7,9H,4-5,8H2,(H,23,24)(H,22,25,26)
InChIKeyWUVSLOWPNMDOIB-UHFFFAOYSA-N
XLogP4.18
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.79
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine (CID 21080660) is N-(3-chlorophenyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cnc(Nc2cccc(Cl)c2)nc1N1CCc2nc[nH]c2C1.
What is the InChIKey of N-(3-chlorophenyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is WUVSLOWPNMDOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N6/c18-10-2-1-3-11(6-10)25-16-22-7-12(17(19,20)21)15(26-16)27-5-4-13-14(8-27)24-9-23-13/h1-3,6-7,9H,4-5,8H2,(H,23,24)(H,22,25,26).
What are the key properties of N-(3-chlorophenyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
N-(3-chlorophenyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 394.79 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 21080660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).