N-[[2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine

C20H18ClF3N4O — CID 146293527

IUPACN-[[2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESCC(C)Oc1ccc(-c2ncc(CNc3ccnc(C(F)(F)F)c3)cn2)cc1Cl
InChIInChI=1S/C20H18ClF3N4O/c1-12(2)29-17-4-3-14(7-16(17)21)19-27-10-13(11-28-19)9-26-15-5-6-25-18(8-15)20(22,23)24/h3-8,10-12H,9H2,1-2H3,(H,25,26)
InChIKeyFGUVKWPOHXVGKT-UHFFFAOYSA-N
MW422.84 g/mol
LogP5.61
Rot. Bonds6

About N-[[2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine

N-[[2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 146293527) has the molecular formula C20H18ClF3N4O and a molecular weight of 422.84 g/mol. Its IUPAC name is N-[[2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[[2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
PubChem CID146293527
Molecular FormulaC20H18ClF3N4O
Molecular Weight422.84 g/mol
Exact Mass422.11
IUPAC NameN-[[2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESCC(C)Oc1ccc(-c2ncc(CNc3ccnc(C(F)(F)F)c3)cn2)cc1Cl
InChIInChI=1S/C20H18ClF3N4O/c1-12(2)29-17-4-3-14(7-16(17)21)19-27-10-13(11-28-19)9-26-15-5-6-25-18(8-15)20(22,23)24/h3-8,10-12H,9H2,1-2H3,(H,25,26)
InChIKeyFGUVKWPOHXVGKT-UHFFFAOYSA-N
XLogP5.61
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.84
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-2-pyridinyl]methyl]-2-(trifluoromethyl)pyridin-4-amine
CID 146291269
N-[[2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-5-yl]methyl]-2-(1,3-thiazol-4-yl)-6-(trifluoromethyl)pyridin-4-amine
CID 156565497
N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
CID 146291300
3-chloro-4-propan-2-yloxy-N-(pyridin-4-ylmethyl)aniline
CID 43727132
2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 82303522
N-[[2-[4-chloro-3-(methylamino)phenyl]pyrimidin-5-yl]methyl]-2-iodo-6-(trifluoromethyl)pyridin-4-amine
CID 170211097
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-propan-2-yloxyaniline
CID 43727111
6-[(3-chloro-4-propan-2-yloxyanilino)methyl]pyridin-3-ol
CID 79781863
N-[(3-bromo-4-fluorophenyl)methyl]-3-chloro-4-propan-2-yloxyaniline
CID 43727167
3-chloro-N-(2-phenylethyl)-4-propan-2-yloxyaniline
CID 43727125
[1-[[2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-5-yl]amino]-4-methyl-1-oxopentan-2-yl]phosphonic acid
CID 169288567
3-chloro-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxyaniline
CID 63445695

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-[[2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine (CID 146293527) is N-[[2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-[[2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-[[2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine is CC(C)Oc1ccc(-c2ncc(CNc3ccnc(C(F)(F)F)c3)cn2)cc1Cl.
What is the InChIKey of N-[[2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is FGUVKWPOHXVGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N4O/c1-12(2)29-17-4-3-14(7-16(17)21)19-27-10-13(11-28-19)9-26-15-5-6-25-18(8-15)20(22,23)24/h3-8,10-12H,9H2,1-2H3,(H,25,26).
What are the key properties of N-[[2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
N-[[2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 422.84 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 146293527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).