4-N-[(2,5-difluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine

C15H18F2N4 — CID 80818999

IUPAC4-N-[(2,5-difluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NCc2cc(F)ccc2F)n1
InChIInChI=1S/C15H18F2N4/c1-3-6-18-15-20-10(2)7-14(21-15)19-9-11-8-12(16)4-5-13(11)17/h4-5,7-8H,3,6,9H2,1-2H3,(H2,18,19,20,21)
InChIKeyYCUSMELGRBQUFD-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.50
Rot. Bonds6

About 4-N-[(2,5-difluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine

4-N-[(2,5-difluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80818999) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-N-[(2,5-difluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2,5-difluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80818999
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name4-N-[(2,5-difluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NCc2cc(F)ccc2F)n1
InChIInChI=1S/C15H18F2N4/c1-3-6-18-15-20-10(2)7-14(21-15)19-9-11-8-12(16)4-5-13(11)17/h4-5,7-8H,3,6,9H2,1-2H3,(H2,18,19,20,21)
InChIKeyYCUSMELGRBQUFD-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[(2,5-difluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-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

N-[(2,4-difluorophenyl)methyl]-4-hydrazinyl-6-methylpyrimidin-2-amine
CID 94672852
4-N-[(2-fluorophenyl)methyl]-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911522
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 106041509
4-N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80776690
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906838
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915799
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917241
2-N-[(4-fluorophenyl)methyl]-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916340
4-N-(4-bromo-3-fluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80842688
4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80827135
4-N-(2-chloro-4,6-difluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 83075606
6-methyl-4-N-(4-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773371

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,5-difluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2,5-difluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine (CID 80818999) is 4-N-[(2,5-difluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2,5-difluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2,5-difluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(NCc2cc(F)ccc2F)n1.
What is the InChIKey of 4-N-[(2,5-difluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is YCUSMELGRBQUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c1-3-6-18-15-20-10(2)7-14(21-15)19-9-11-8-12(16)4-5-13(11)17/h4-5,7-8H,3,6,9H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-[(2,5-difluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
4-N-[(2,5-difluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 292.33 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,5-difluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80818999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).