4,4-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,2-diamine

C12H19F3N4 — CID 107159109

IUPAC4,4-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,2-diamine
SMILESCC(C)(C)CC(N)CNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N4/c1-11(2,3)6-8(16)7-18-10-17-5-4-9(19-10)12(13,14)15/h4-5,8H,6-7,16H2,1-3H3,(H,17,18,19)
InChIKeyZHVHQMDTHSAUIT-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.67
Rot. Bonds4

About 4,4-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,2-diamine

4,4-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,2-diamine (PubChem CID 107159109) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 4,4-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,2-diamine.

Molecular Properties

Compound Name4,4-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,2-diamine
PubChem CID107159109
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name4,4-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,2-diamine
SMILESCC(C)(C)CC(N)CNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N4/c1-11(2,3)6-8(16)7-18-10-17-5-4-9(19-10)12(13,14)15/h4-5,8H,6-7,16H2,1-3H3,(H,17,18,19)
InChIKeyZHVHQMDTHSAUIT-UHFFFAOYSA-N
XLogP2.67
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,2-diamine?
The IUPAC name of 4,4-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,2-diamine (CID 107159109) is 4,4-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,2-diamine.
What is the SMILES notation for 4,4-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,2-diamine?
The canonical SMILES for 4,4-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,2-diamine is CC(C)(C)CC(N)CNc1nccc(C(F)(F)F)n1.
What is the InChIKey of 4,4-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,2-diamine?
The InChIKey is ZHVHQMDTHSAUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-11(2,3)6-8(16)7-18-10-17-5-4-9(19-10)12(13,14)15/h4-5,8H,6-7,16H2,1-3H3,(H,17,18,19).
What are the key properties of 4,4-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,2-diamine?
4,4-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,2-diamine has a molecular weight of 276.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,2-diamine is sourced from PubChem (CID 107159109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).