6-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine

C15H16ClF3N4 — CID 112867399

IUPAC6-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2cc(C(F)(F)F)ccc2Cl)cc(NC(C)C)n1
InChIInChI=1S/C15H16ClF3N4/c1-8(2)20-13-7-14(22-9(3)21-13)23-12-6-10(15(17,18)19)4-5-11(12)16/h4-8H,1-3H3,(H2,20,21,22,23)
InChIKeyMHDRICRFGQVCPT-UHFFFAOYSA-N
MW344.77 g/mol
LogP5.02
Rot. Bonds4

About 6-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine

6-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 112867399) has the molecular formula C15H16ClF3N4 and a molecular weight of 344.77 g/mol. Its IUPAC name is 6-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID112867399
Molecular FormulaC15H16ClF3N4
Molecular Weight344.77 g/mol
Exact Mass344.10
IUPAC Name6-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2cc(C(F)(F)F)ccc2Cl)cc(NC(C)C)n1
InChIInChI=1S/C15H16ClF3N4/c1-8(2)20-13-7-14(22-9(3)21-13)23-12-6-10(15(17,18)19)4-5-11(12)16/h4-8H,1-3H3,(H2,20,21,22,23)
InChIKeyMHDRICRFGQVCPT-UHFFFAOYSA-N
XLogP5.02
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.77
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine 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

4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868173
[6-[2-chloro-5-(trifluoromethyl)anilino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363729
4-N-butan-2-yl-2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112908993
2-chloro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)aniline
CID 43093717
6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 22541138
5-N-butan-2-yl-3-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112940799
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919984
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319403
2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methoxypyridine-2,5-diamine
CID 43261475
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1088123
2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)aniline
CID 43093249
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80738081

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 112867399) is 6-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine is Cc1nc(Nc2cc(C(F)(F)F)ccc2Cl)cc(NC(C)C)n1.
What is the InChIKey of 6-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is MHDRICRFGQVCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N4/c1-8(2)20-13-7-14(22-9(3)21-13)23-12-6-10(15(17,18)19)4-5-11(12)16/h4-8H,1-3H3,(H2,20,21,22,23).
What are the key properties of 6-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
6-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 344.77 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 112867399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).