4-N-(2-propylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

C14H15F3N4 — CID 106771302

IUPAC4-N-(2-propylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCCc1ccccc1Nc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N4/c1-2-5-9-6-3-4-7-10(9)19-12-8-11(18)20-13(21-12)14(15,16)17/h3-4,6-8H,2,5H2,1H3,(H3,18,19,20,21)
InChIKeySDRKPWOQIALWJC-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.77
Rot. Bonds4

About 4-N-(2-propylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-(2-propylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771302) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-N-(2-propylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-propylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771302
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name4-N-(2-propylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCCc1ccccc1Nc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N4/c1-2-5-9-6-3-4-7-10(9)19-12-8-11(18)20-13(21-12)14(15,16)17/h3-4,6-8H,2,5H2,1H3,(H3,18,19,20,21)
InChIKeySDRKPWOQIALWJC-UHFFFAOYSA-N
XLogP3.77
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770018
6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717119
2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine
CID 80808085
4-N-(2,5-difluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769978
4-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770731
6-propoxy-2-N-(2-propylphenyl)pyridine-2,5-diamine
CID 63402851
4-N-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770931
6-fluoro-N-(2-propylphenyl)pyridin-2-amine
CID 54968645
4-N-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770518
4-N-(2,6-dichlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772319
2-ethyl-4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine
CID 102908806
2-N-ethyl-6-N-(2-propylphenyl)pyridine-2,6-diamine
CID 80807820

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-propylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-propylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771302) is 4-N-(2-propylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-propylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-propylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCCc1ccccc1Nc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(2-propylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is SDRKPWOQIALWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-2-5-9-6-3-4-7-10(9)19-12-8-11(18)20-13(21-12)14(15,16)17/h3-4,6-8H,2,5H2,1H3,(H3,18,19,20,21).
What are the key properties of 4-N-(2-propylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-(2-propylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 296.30 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-propylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).