5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine

C16H21FN4 — CID 80784565

IUPAC5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NC(C)c2ccccc2C)n1
InChIInChI=1S/C16H21FN4/c1-4-9-18-16-19-10-14(17)15(21-16)20-12(3)13-8-6-5-7-11(13)2/h5-8,10,12H,4,9H2,1-3H3,(H2,18,19,20,21)
InChIKeyJZFJFCQQUKJFGD-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.92
Rot. Bonds6

About 5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine

5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80784565) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID80784565
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NC(C)c2ccccc2C)n1
InChIInChI=1S/C16H21FN4/c1-4-9-18-16-19-10-14(17)15(21-16)20-12(3)13-8-6-5-7-11(13)2/h5-8,10,12H,4,9H2,1-3H3,(H2,18,19,20,21)
InChIKeyJZFJFCQQUKJFGD-UHFFFAOYSA-N
XLogP3.92
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-5-fluoro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801576
4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80783494
5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80783798
4-N-butan-2-yl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80765731
4-N-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80783654
5-fluoro-4-N-(2-methylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80804122
5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783795
5-fluoro-4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80841997
6-chloro-2-N-[1-(2-methylphenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80783674
4-N-(1-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80781382
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80849132
5-fluoro-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80778083

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine (CID 80784565) is 5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(NC(C)c2ccccc2C)n1.
What is the InChIKey of 5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is JZFJFCQQUKJFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-4-9-18-16-19-10-14(17)15(21-16)20-12(3)13-8-6-5-7-11(13)2/h5-8,10,12H,4,9H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80784565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).