4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine

C16H21FN4 — CID 80795202

IUPAC4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(C)c2cc(C)cc(C)c2)n1
InChIInChI=1S/C16H21FN4/c1-5-6-18-16-19-10-14(17)15(20-16)21(4)13-8-11(2)7-12(3)9-13/h7-10H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyQGTOLBJIYUSRAP-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.82
Rot. Bonds5

About 4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine

4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80795202) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80795202
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(C)c2cc(C)cc(C)c2)n1
InChIInChI=1S/C16H21FN4/c1-5-6-18-16-19-10-14(17)15(20-16)21(4)13-8-11(2)7-12(3)9-13/h7-10H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyQGTOLBJIYUSRAP-UHFFFAOYSA-N
XLogP3.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-N-methyl-4-N-(3-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80818504
5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80792326
5-fluoro-4-N-methyl-4-N-pentan-2-yl-2-N-propylpyrimidine-2,4-diamine
CID 80792483
1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80848537
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557000
5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80766794
4-N-(4,4-dimethylcyclohexyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80838986
4-N-butan-2-yl-4-N-ethyl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80782815
4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753808
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
CID 80779606
5-fluoro-4-N-methyl-2-N-propyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine
CID 80783482

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine (CID 80795202) is 4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(N(C)c2cc(C)cc(C)c2)n1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is QGTOLBJIYUSRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-5-6-18-16-19-10-14(17)15(20-16)21(4)13-8-11(2)7-12(3)9-13/h7-10H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80795202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).