2-N-[cyclopropyl(phenyl)methyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

C16H20FN5 — CID 15544879

IUPAC2-N-[cyclopropyl(phenyl)methyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(F)c1nc(N)nc(NC(c2ccccc2)C2CC2)n1
InChIInChI=1S/C16H20FN5/c1-16(2,17)13-20-14(18)22-15(21-13)19-12(11-8-9-11)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H3,18,19,20,21,22)
InChIKeySGECPIRAKAWLEN-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.22
Rot. Bonds5

About 2-N-[cyclopropyl(phenyl)methyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

2-N-[cyclopropyl(phenyl)methyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 15544879) has the molecular formula C16H20FN5 and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-N-[cyclopropyl(phenyl)methyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[cyclopropyl(phenyl)methyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID15544879
Molecular FormulaC16H20FN5
Molecular Weight301.37 g/mol
Exact Mass301.17
IUPAC Name2-N-[cyclopropyl(phenyl)methyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(F)c1nc(N)nc(NC(c2ccccc2)C2CC2)n1
InChIInChI=1S/C16H20FN5/c1-16(2,17)13-20-14(18)22-15(21-13)19-12(11-8-9-11)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H3,18,19,20,21,22)
InChIKeySGECPIRAKAWLEN-UHFFFAOYSA-N
XLogP3.22
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-[cyclopropyl(phenyl)methyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-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 2-N-[cyclopropyl(phenyl)methyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[cyclopropyl(phenyl)methyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 15544879) is 2-N-[cyclopropyl(phenyl)methyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[cyclopropyl(phenyl)methyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[cyclopropyl(phenyl)methyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is CC(C)(F)c1nc(N)nc(NC(c2ccccc2)C2CC2)n1.
What is the InChIKey of 2-N-[cyclopropyl(phenyl)methyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SGECPIRAKAWLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5/c1-16(2,17)13-20-14(18)22-15(21-13)19-12(11-8-9-11)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H3,18,19,20,21,22).
What are the key properties of 2-N-[cyclopropyl(phenyl)methyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
2-N-[cyclopropyl(phenyl)methyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 301.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[cyclopropyl(phenyl)methyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15544879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).