4-N-(3-fluorophenyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine

C15H19FN4 — CID 80818099

IUPAC4-N-(3-fluorophenyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)c2cccc(F)c2)c1C
InChIInChI=1S/C15H19FN4/c1-4-8-17-14-11(2)15(19-10-18-14)20(3)13-7-5-6-12(16)9-13/h5-7,9-10H,4,8H2,1-3H3,(H,17,18,19)
InChIKeyLZSVGIKGHUAHGZ-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.51
Rot. Bonds5

About 4-N-(3-fluorophenyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine

4-N-(3-fluorophenyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80818099) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-N-(3-fluorophenyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-fluorophenyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80818099
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name4-N-(3-fluorophenyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)c2cccc(F)c2)c1C
InChIInChI=1S/C15H19FN4/c1-4-8-17-14-11(2)15(19-10-18-14)20(3)13-7-5-6-12(16)9-13/h5-7,9-10H,4,8H2,1-3H3,(H,17,18,19)
InChIKeyLZSVGIKGHUAHGZ-UHFFFAOYSA-N
XLogP3.51
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80760533
4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80817609
4-N-[1-(3-fluorophenyl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80783043
4-N-(3-fluorophenyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80817921
4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 81068418
4-N-(4,4-dimethylcyclohexyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80839629
4-N-(3-fluorophenyl)-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine
CID 80817532
4-N,5-dimethyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80792963
5-fluoro-4-N-methyl-4-N-(3-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80818504
4-N-(4-ethylphenyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80817574
N-(4-fluorophenyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 80908609
4-N-(4-ethylcyclohexyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80779258

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluorophenyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-fluorophenyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine (CID 80818099) is 4-N-(3-fluorophenyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-fluorophenyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-fluorophenyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(N(C)c2cccc(F)c2)c1C.
What is the InChIKey of 4-N-(3-fluorophenyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is LZSVGIKGHUAHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-4-8-17-14-11(2)15(19-10-18-14)20(3)13-7-5-6-12(16)9-13/h5-7,9-10H,4,8H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-(3-fluorophenyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(3-fluorophenyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluorophenyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80818099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).