N-heptan-4-yl-5-(trifluoromethyl)pyrimidin-2-amine

C12H18F3N3 — CID 171565519

IUPACN-heptan-4-yl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCC(CCC)Nc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C12H18F3N3/c1-3-5-10(6-4-2)18-11-16-7-9(8-17-11)12(13,14)15/h7-8,10H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyHXWUFFREZBREBK-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.88
Rot. Bonds6

About N-heptan-4-yl-5-(trifluoromethyl)pyrimidin-2-amine

N-heptan-4-yl-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 171565519) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-heptan-4-yl-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-heptan-4-yl-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID171565519
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN-heptan-4-yl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCC(CCC)Nc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C12H18F3N3/c1-3-5-10(6-4-2)18-11-16-7-9(8-17-11)12(13,14)15/h7-8,10H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyHXWUFFREZBREBK-UHFFFAOYSA-N
XLogP3.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-heptan-4-yl-5-(trifluoromethyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10266549, Example 168c
CID 118908038
5-(Trifluoromethyl)pyrimidin-2-amine
CID 15273574
Methyl[(pyrimidin-5-yl)methyl]amine
CID 20607229
N-ethyl-5-fluoropyrimidin-2-amine
CID 53385549
N,N-dimethyl-5-((methylamino)methyl)pyrimidin-2-amine
CID 62756582
N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine
CID 95857554
N2,N4-dicyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 118908048
N,N-dimethyl-5-((methylamino)methyl)pyrimidin-2-amine dihydrochloride
CID 146049995
2-(Piperidin-2-yl)-5-(trifluoromethyl)pyrimidine hydrochloride
CID 155859066
1-(5-(Trifluoromethyl)pyrimidin-2-yl)ethan-1-amine hydrochloride
CID 167311280
1-(5-(Trifluoromethyl)pyrimidin-2-yl)ethan-1-amine dihydrochloride
CID 167724087
Pyrimidine, 5-bromo-2-(1,4-dimethylpentyl)amino-
CID 23423535

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-heptan-4-yl-5-(trifluoromethyl)pyrimidin-2-amine (CID 171565519) is N-heptan-4-yl-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-heptan-4-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-heptan-4-yl-5-(trifluoromethyl)pyrimidin-2-amine is CCCC(CCC)Nc1ncc(C(F)(F)F)cn1.
What is the InChIKey of N-heptan-4-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is HXWUFFREZBREBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-3-5-10(6-4-2)18-11-16-7-9(8-17-11)12(13,14)15/h7-8,10H,3-6H2,1-2H3,(H,16,17,18).
What are the key properties of N-heptan-4-yl-5-(trifluoromethyl)pyrimidin-2-amine?
N-heptan-4-yl-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 261.29 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 171565519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).