2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C18H21F3N4 — CID 112899975

IUPAC2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cccc(Nc2ccnc(NC3CCCCCC3)n2)c1
InChIInChI=1S/C18H21F3N4/c19-18(20,21)13-6-5-9-15(12-13)23-16-10-11-22-17(25-16)24-14-7-3-1-2-4-8-14/h5-6,9-12,14H,1-4,7-8H2,(H2,22,23,24,25)
InChIKeyRDZBKNSJONOQGJ-UHFFFAOYSA-N
MW350.39 g/mol
LogP5.37
Rot. Bonds4

About 2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 112899975) has the molecular formula C18H21F3N4 and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID112899975
Molecular FormulaC18H21F3N4
Molecular Weight350.39 g/mol
Exact Mass350.17
IUPAC Name2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cccc(Nc2ccnc(NC3CCCCCC3)n2)c1
InChIInChI=1S/C18H21F3N4/c19-18(20,21)13-6-5-9-15(12-13)23-16-10-11-22-17(25-16)24-14-7-3-1-2-4-8-14/h5-6,9-12,14H,1-4,7-8H2,(H2,22,23,24,25)
InChIKeyRDZBKNSJONOQGJ-UHFFFAOYSA-N
XLogP5.37
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.39
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80927624
4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine
CID 112899930
4-N-(3-bromo-4-methylphenyl)-2-N-cyclohexylpyrimidine-2,4-diamine
CID 112885012
5-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112939226
1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1-methylcyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 166866982
1-[3-[[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112905528
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
6-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 19709314
4-N-cyclopropyl-2-phenyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112879538
4-N-cyclopropyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112882308
N-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)-4-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]benzamide
CID 25061536

Frequently Asked Questions

What is the IUPAC name of 2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 112899975) is 2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is FC(F)(F)c1cccc(Nc2ccnc(NC3CCCCCC3)n2)c1.
What is the InChIKey of 2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is RDZBKNSJONOQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4/c19-18(20,21)13-6-5-9-15(12-13)23-16-10-11-22-17(25-16)24-14-7-3-1-2-4-8-14/h5-6,9-12,14H,1-4,7-8H2,(H2,22,23,24,25).
What are the key properties of 2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 350.39 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112899975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).