4-N-(3,5-difluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine

C14H16F2N4 — CID 80762442

IUPAC4-N-(3,5-difluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2N4/c1-3-4-12-13(17-2)18-8-19-14(12)20-11-6-9(15)5-10(16)7-11/h5-8H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyNAGLEWWLBACTBX-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.49
Rot. Bonds5

About 4-N-(3,5-difluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine

4-N-(3,5-difluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine (PubChem CID 80762442) has the molecular formula C14H16F2N4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-N-(3,5-difluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,5-difluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
PubChem CID80762442
Molecular FormulaC14H16F2N4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-N-(3,5-difluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2N4/c1-3-4-12-13(17-2)18-8-19-14(12)20-11-6-9(15)5-10(16)7-11/h5-8H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyNAGLEWWLBACTBX-UHFFFAOYSA-N
XLogP3.49
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(3,5-difluorophenyl)-6-N-methyl-5-propylpyrimidine-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

Related Compounds

4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80761074
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
4-N-(5-chloro-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80779766
4-N-(4-bromo-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80759951
4-N-(2,6-difluoro-3-methylphenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 82803367
1,1-difluoro-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propan-2-ol
CID 114094094
5-ethyl-4-N-(3-fluoro-5-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80834573
6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine
CID 102908880
4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80748963
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818
4-N-(4-butylphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80772920
5-propyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine
CID 107647117

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-difluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,5-difluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine (CID 80762442) is 4-N-(3,5-difluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,5-difluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,5-difluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1Nc1cc(F)cc(F)c1.
What is the InChIKey of 4-N-(3,5-difluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is NAGLEWWLBACTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4/c1-3-4-12-13(17-2)18-8-19-14(12)20-11-6-9(15)5-10(16)7-11/h5-8H,3-4H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3,5-difluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
4-N-(3,5-difluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 278.31 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-difluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80762442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).