2-N-(2,6-difluorophenyl)-4-N-(3-methylbutyl)pyrimidine-2,4-diamine

C15H18F2N4 — CID 112900250

IUPAC2-N-(2,6-difluorophenyl)-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCNc1ccnc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C15H18F2N4/c1-10(2)6-8-18-13-7-9-19-15(20-13)21-14-11(16)4-3-5-12(14)17/h3-5,7,9-10H,6,8H2,1-2H3,(H2,18,19,20,21)
InChIKeyVBRXLUWXECNTKH-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.96
Rot. Bonds6

About 2-N-(2,6-difluorophenyl)-4-N-(3-methylbutyl)pyrimidine-2,4-diamine

2-N-(2,6-difluorophenyl)-4-N-(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 112900250) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-N-(2,6-difluorophenyl)-4-N-(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,6-difluorophenyl)-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID112900250
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name2-N-(2,6-difluorophenyl)-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCNc1ccnc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C15H18F2N4/c1-10(2)6-8-18-13-7-9-19-15(20-13)21-14-11(16)4-3-5-12(14)17/h3-5,7,9-10H,6,8H2,1-2H3,(H2,18,19,20,21)
InChIKeyVBRXLUWXECNTKH-UHFFFAOYSA-N
XLogP3.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(2,6-difluorophenyl)-4-N-(3-methylbutyl)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

Related Compounds

4-N-[(2-fluorophenyl)methyl]-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112891121
4-N-(3-methylbutyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112900149
2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887432
4-N-[3-(dimethylamino)butyl]-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine
CID 23653229
2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112882404
2-N-(4-bromo-3-methylphenyl)-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112900224
4-N-(2,6-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887902
methyl 4-[[4-(3-methylbutylamino)pyrimidin-2-yl]amino]benzoate
CID 112900206
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112895255
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112895145
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112899521
4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112883545

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-difluorophenyl)-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,6-difluorophenyl)-4-N-(3-methylbutyl)pyrimidine-2,4-diamine (CID 112900250) is 2-N-(2,6-difluorophenyl)-4-N-(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,6-difluorophenyl)-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,6-difluorophenyl)-4-N-(3-methylbutyl)pyrimidine-2,4-diamine is CC(C)CCNc1ccnc(Nc2c(F)cccc2F)n1.
What is the InChIKey of 2-N-(2,6-difluorophenyl)-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is VBRXLUWXECNTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c1-10(2)6-8-18-13-7-9-19-15(20-13)21-14-11(16)4-3-5-12(14)17/h3-5,7,9-10H,6,8H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-N-(2,6-difluorophenyl)-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
2-N-(2,6-difluorophenyl)-4-N-(3-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 292.33 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-difluorophenyl)-4-N-(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112900250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).