4-N-cyclopropyl-6-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

C14H12F4N4 — CID 67695312

IUPAC4-N-cyclopropyl-6-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESFc1ccc(C(F)(F)F)cc1Nc1cc(NC2CC2)ncn1
InChIInChI=1S/C14H12F4N4/c15-10-4-1-8(14(16,17)18)5-11(10)22-13-6-12(19-7-20-13)21-9-2-3-9/h1,4-7,9H,2-3H2,(H2,19,20,21,22)
InChIKeyWMUQRHOFLUXHMR-UHFFFAOYSA-N
MW312.27 g/mol
LogP3.95
Rot. Bonds4

About 4-N-cyclopropyl-6-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

4-N-cyclopropyl-6-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 67695312) has the molecular formula C14H12F4N4 and a molecular weight of 312.27 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
PubChem CID67695312
Molecular FormulaC14H12F4N4
Molecular Weight312.27 g/mol
Exact Mass312.10
IUPAC Name4-N-cyclopropyl-6-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESFc1ccc(C(F)(F)F)cc1Nc1cc(NC2CC2)ncn1
InChIInChI=1S/C14H12F4N4/c15-10-4-1-8(14(16,17)18)5-11(10)22-13-6-12(19-7-20-13)21-9-2-3-9/h1,4-7,9H,2-3H2,(H2,19,20,21,22)
InChIKeyWMUQRHOFLUXHMR-UHFFFAOYSA-N
XLogP3.95
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 67695034
4-N-cyclopentyl-6-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112855977
6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854795
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 55144195
4-N-cyclopropyl-6-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112854769
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,1-dioxothian-4-amine
CID 63037005
4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine
CID 112863930
5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 63464156
4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866617
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
N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 79741047

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 67695312) is 4-N-cyclopropyl-6-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is Fc1ccc(C(F)(F)F)cc1Nc1cc(NC2CC2)ncn1.
What is the InChIKey of 4-N-cyclopropyl-6-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is WMUQRHOFLUXHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N4/c15-10-4-1-8(14(16,17)18)5-11(10)22-13-6-12(19-7-20-13)21-9-2-3-9/h1,4-7,9H,2-3H2,(H2,19,20,21,22).
What are the key properties of 4-N-cyclopropyl-6-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 312.27 g/mol, XLogP of 3.95, 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-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 67695312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).