4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

C14H13F3N4 — CID 67695034

IUPAC4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESFC(F)(F)c1ccc(Nc2cc(NC3CC3)ncn2)cc1
InChIInChI=1S/C14H13F3N4/c15-14(16,17)9-1-3-10(4-2-9)20-12-7-13(19-8-18-12)21-11-5-6-11/h1-4,7-8,11H,5-6H2,(H2,18,19,20,21)
InChIKeyVNGRINLWGLBHNT-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.81
Rot. Bonds4

About 4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 67695034) has the molecular formula C14H13F3N4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
PubChem CID67695034
Molecular FormulaC14H13F3N4
Molecular Weight294.28 g/mol
Exact Mass294.11
IUPAC Name4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESFC(F)(F)c1ccc(Nc2cc(NC3CC3)ncn2)cc1
InChIInChI=1S/C14H13F3N4/c15-14(16,17)9-1-3-10(4-2-9)20-12-7-13(19-8-18-12)21-11-5-6-11/h1-4,7-8,11H,5-6H2,(H2,18,19,20,21)
InChIKeyVNGRINLWGLBHNT-UHFFFAOYSA-N
XLogP3.81
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-6-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 67695312
4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866617
4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112854627
6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854795
4-N-cyclopropyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112882308
1-[4-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112854815
4-N-cyclopropyl-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,6-diamine
CID 112854840
6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112855389
6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112855199
4-N-cycloheptyl-6-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112924917
6-N-(3-chloro-4-fluorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]pyrimidine-4,6-diamine
CID 174482983
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 67695034) is 4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is FC(F)(F)c1ccc(Nc2cc(NC3CC3)ncn2)cc1.
What is the InChIKey of 4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is VNGRINLWGLBHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4/c15-14(16,17)9-1-3-10(4-2-9)20-12-7-13(19-8-18-12)21-11-5-6-11/h1-4,7-8,11H,5-6H2,(H2,18,19,20,21).
What are the key properties of 4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 294.28 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 67695034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).