1-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol

C15H16ClF3N4O2 — CID 60567566

IUPAC1-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCN(CC(O)COc1ccccc1C(F)(F)F)c1cc(Cl)nc(N)n1
InChIInChI=1S/C15H16ClF3N4O2/c1-23(13-6-12(16)21-14(20)22-13)7-9(24)8-25-11-5-3-2-4-10(11)15(17,18)19/h2-6,9,24H,7-8H2,1H3,(H2,20,21,22)
InChIKeyAVJFLIDFSOQTDM-UHFFFAOYSA-N
MW376.77 g/mol
LogP2.61
Rot. Bonds6

About 1-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol

1-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 60567566) has the molecular formula C15H16ClF3N4O2 and a molecular weight of 376.77 g/mol. Its IUPAC name is 1-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID60567566
Molecular FormulaC15H16ClF3N4O2
Molecular Weight376.77 g/mol
Exact Mass376.09
IUPAC Name1-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCN(CC(O)COc1ccccc1C(F)(F)F)c1cc(Cl)nc(N)n1
InChIInChI=1S/C15H16ClF3N4O2/c1-23(13-6-12(16)21-14(20)22-13)7-9(24)8-25-11-5-3-2-4-10(11)15(17,18)19/h2-6,9,24H,7-8H2,1H3,(H2,20,21,22)
InChIKeyAVJFLIDFSOQTDM-UHFFFAOYSA-N
XLogP2.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.77
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol 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

1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 60567589
6-chloro-4-N-(2,2-difluoroethyl)-4-N-methylpyrimidine-2,4-diamine
CID 115611744
(2S)-2-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N,3,3-trimethylbutanamide;hydrochloride
CID 119741458
3-[[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-methylamino]pyrazine-2-carbonitrile
CID 95697288
(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 30121905
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 102715710
N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 95787037
2-(aminomethyl)-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 119741467
3-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide
CID 119950359
6-chloro-4-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 31537715
1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol
CID 43364477
6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 31537704

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol (CID 60567566) is 1-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol is CN(CC(O)COc1ccccc1C(F)(F)F)c1cc(Cl)nc(N)n1.
What is the InChIKey of 1-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is AVJFLIDFSOQTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N4O2/c1-23(13-6-12(16)21-14(20)22-13)7-9(24)8-25-11-5-3-2-4-10(11)15(17,18)19/h2-6,9,24H,7-8H2,1H3,(H2,20,21,22).
What are the key properties of 1-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol?
1-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 376.77 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 60567566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).