4-N-cyclopropyl-6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C14H21F3N4 — CID 80789433

IUPAC4-N-cyclopropyl-6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C14H21F3N4/c1-3-5-11-12(18-4-2)19-9-20-13(11)21(10-6-7-10)8-14(15,16)17/h9-10H,3-8H2,1-2H3,(H,18,19,20)
InChIKeyJRGDABXWXVISLY-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.39
Rot. Bonds7

About 4-N-cyclopropyl-6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

4-N-cyclopropyl-6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80789433) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80789433
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name4-N-cyclopropyl-6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C14H21F3N4/c1-3-5-11-12(18-4-2)19-9-20-13(11)21(10-6-7-10)8-14(15,16)17/h9-10H,3-8H2,1-2H3,(H,18,19,20)
InChIKeyJRGDABXWXVISLY-UHFFFAOYSA-N
XLogP3.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-cyclopropyl-6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-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-cyclopropyl-6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80789433) is 4-N-cyclopropyl-6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCCc1c(NCC)ncnc1N(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-N-cyclopropyl-6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is JRGDABXWXVISLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-3-5-11-12(18-4-2)19-9-20-13(11)21(10-6-7-10)8-14(15,16)17/h9-10H,3-8H2,1-2H3,(H,18,19,20).
What are the key properties of 4-N-cyclopropyl-6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 302.34 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80789433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).