N-[(1R)-1-[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]ethyl]-5-methylpyrimidin-2-amine

C16H15ClF2N6O — CID 130302238

IUPACN-[(1R)-1-[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]ethyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(N[C@H](C)c2cn(-c3ccc(Cl)c(OC(F)F)c3)nn2)nc1
InChIInChI=1S/C16H15ClF2N6O/c1-9-6-20-16(21-7-9)22-10(2)13-8-25(24-23-13)11-3-4-12(17)14(5-11)26-15(18)19/h3-8,10,15H,1-2H3,(H,20,21,22)/t10-/m1/s1
InChIKeyUKSZEYYGKNMYHW-SNVBAGLBSA-N
MW380.79 g/mol
LogP3.79
Rot. Bonds6

About N-[(1R)-1-[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]ethyl]-5-methylpyrimidin-2-amine

N-[(1R)-1-[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]ethyl]-5-methylpyrimidin-2-amine (PubChem CID 130302238) has the molecular formula C16H15ClF2N6O and a molecular weight of 380.79 g/mol. Its IUPAC name is N-[(1R)-1-[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]ethyl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]ethyl]-5-methylpyrimidin-2-amine
PubChem CID130302238
Molecular FormulaC16H15ClF2N6O
Molecular Weight380.79 g/mol
Exact Mass380.10
IUPAC NameN-[(1R)-1-[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]ethyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(N[C@H](C)c2cn(-c3ccc(Cl)c(OC(F)F)c3)nn2)nc1
InChIInChI=1S/C16H15ClF2N6O/c1-9-6-20-16(21-7-9)22-10(2)13-8-25(24-23-13)11-3-4-12(17)14(5-11)26-15(18)19/h3-8,10,15H,1-2H3,(H,20,21,22)/t10-/m1/s1
InChIKeyUKSZEYYGKNMYHW-SNVBAGLBSA-N
XLogP3.79
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.79
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1R)-1-[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]ethyl]-5-methylpyrimidin-2-amine 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 N-[(1R)-1-[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]ethyl]-5-methylpyrimidin-2-amine?
The IUPAC name of N-[(1R)-1-[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]ethyl]-5-methylpyrimidin-2-amine (CID 130302238) is N-[(1R)-1-[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]ethyl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(1R)-1-[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]ethyl]-5-methylpyrimidin-2-amine?
The canonical SMILES for N-[(1R)-1-[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]ethyl]-5-methylpyrimidin-2-amine is Cc1cnc(N[C@H](C)c2cn(-c3ccc(Cl)c(OC(F)F)c3)nn2)nc1.
What is the InChIKey of N-[(1R)-1-[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]ethyl]-5-methylpyrimidin-2-amine?
The InChIKey is UKSZEYYGKNMYHW-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15ClF2N6O/c1-9-6-20-16(21-7-9)22-10(2)13-8-25(24-23-13)11-3-4-12(17)14(5-11)26-15(18)19/h3-8,10,15H,1-2H3,(H,20,21,22)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]ethyl]-5-methylpyrimidin-2-amine?
N-[(1R)-1-[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]ethyl]-5-methylpyrimidin-2-amine has a molecular weight of 380.79 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]ethyl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 130302238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).