4-N-(2-methylpentan-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C11H17F3N4 — CID 77466598

IUPAC4-N-(2-methylpentan-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCC(Nc1nc(N)ncc1C(F)(F)F)C(C)C
InChIInChI=1S/C11H17F3N4/c1-4-8(6(2)3)17-9-7(11(12,13)14)5-16-10(15)18-9/h5-6,8H,4H2,1-3H3,(H3,15,16,17,18)
InChIKeyFJWBLDCCDTZZKF-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.92
Rot. Bonds4

About 4-N-(2-methylpentan-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(2-methylpentan-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 77466598) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-N-(2-methylpentan-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methylpentan-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID77466598
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name4-N-(2-methylpentan-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCC(Nc1nc(N)ncc1C(F)(F)F)C(C)C
InChIInChI=1S/C11H17F3N4/c1-4-8(6(2)3)17-9-7(11(12,13)14)5-16-10(15)18-9/h5-6,8H,4H2,1-3H3,(H3,15,16,17,18)
InChIKeyFJWBLDCCDTZZKF-UHFFFAOYSA-N
XLogP2.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(2-methylpentan-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-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-N-(2-methylpentan-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-methylpentan-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 77466598) is 4-N-(2-methylpentan-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methylpentan-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-methylpentan-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCC(Nc1nc(N)ncc1C(F)(F)F)C(C)C.
What is the InChIKey of 4-N-(2-methylpentan-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is FJWBLDCCDTZZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-4-8(6(2)3)17-9-7(11(12,13)14)5-16-10(15)18-9/h5-6,8H,4H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 4-N-(2-methylpentan-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(2-methylpentan-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 262.28 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylpentan-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 77466598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).