4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine

C15H19FN4 — CID 80753808

IUPAC4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(C)Cc2ccccc2)n1
InChIInChI=1S/C15H19FN4/c1-3-9-17-15-18-10-13(16)14(19-15)20(2)11-12-7-5-4-6-8-12/h4-8,10H,3,9,11H2,1-2H3,(H,17,18,19)
InChIKeyRGTZMUSJZZEXLJ-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.07
Rot. Bonds6

About 4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine

4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80753808) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80753808
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(C)Cc2ccccc2)n1
InChIInChI=1S/C15H19FN4/c1-3-9-17-15-18-10-13(16)14(19-15)20(2)11-12-7-5-4-6-8-12/h4-8,10H,3,9,11H2,1-2H3,(H,17,18,19)
InChIKeyRGTZMUSJZZEXLJ-UHFFFAOYSA-N
XLogP3.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-N-[(2-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80777771
4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80753731
5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80777490
1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80848537
4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80750096
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
CID 80779606
4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80787782
4-N,5-dimethyl-4-N-(2-phenylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80829683
5-bromo-4-N-methyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80788051
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80809891
5-fluoro-4-N-methyl-4-N-(3-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80818504

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine (CID 80753808) is 4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(N(C)Cc2ccccc2)n1.
What is the InChIKey of 4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is RGTZMUSJZZEXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-3-9-17-15-18-10-13(16)14(19-15)20(2)11-12-7-5-4-6-8-12/h4-8,10H,3,9,11H2,1-2H3,(H,17,18,19).
What are the key properties of 4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80753808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).