4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

C14H15F3N4 — CID 112854627

IUPAC4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCC(C)Nc1cc(Nc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C14H15F3N4/c1-9(2)20-12-7-13(19-8-18-12)21-11-5-3-10(4-6-11)14(15,16)17/h3-9H,1-2H3,(H2,18,19,20,21)
InChIKeyPYXPQJJFBRZBSK-UHFFFAOYSA-N
MW296.30 g/mol
LogP4.06
Rot. Bonds4

About 4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 112854627) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
PubChem CID112854627
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCC(C)Nc1cc(Nc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C14H15F3N4/c1-9(2)20-12-7-13(19-8-18-12)21-11-5-3-10(4-6-11)14(15,16)17/h3-9H,1-2H3,(H2,18,19,20,21)
InChIKeyPYXPQJJFBRZBSK-UHFFFAOYSA-N
XLogP4.06
TPSA49.84 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 ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112855389
4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866617
4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 67695034
6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112855199
6-N-(3-methoxypropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112856959
4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115263744
6-N-(4-phenylmethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112854646
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866611
6-[2-(4-methylanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 11350663
5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 10657722
N-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112854630
6-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112854607

Frequently Asked Questions

What is the IUPAC name of 4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 112854627) is 4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is CC(C)Nc1cc(Nc2ccc(C(F)(F)F)cc2)ncn1.
What is the InChIKey of 4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is PYXPQJJFBRZBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-9(2)20-12-7-13(19-8-18-12)21-11-5-3-10(4-6-11)14(15,16)17/h3-9H,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 296.30 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112854627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).