2-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-methylpyrimidine-2,4-diamine

C16H21FN4 — CID 80838128

IUPAC2-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(NC(C)c2ccc(C)c(F)c2)n1
InChIInChI=1S/C16H21FN4/c1-5-18-16-19-11(3)8-15(21-16)20-12(4)13-7-6-10(2)14(17)9-13/h6-9,12H,5H2,1-4H3,(H2,18,19,20,21)
InChIKeySUYKNQQQSNHMAF-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.84
Rot. Bonds5

About 2-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-methylpyrimidine-2,4-diamine

2-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 80838128) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
PubChem CID80838128
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name2-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(NC(C)c2ccc(C)c(F)c2)n1
InChIInChI=1S/C16H21FN4/c1-5-18-16-19-11(3)8-15(21-16)20-12(4)13-7-6-10(2)14(17)9-13/h6-9,12H,5H2,1-4H3,(H2,18,19,20,21)
InChIKeySUYKNQQQSNHMAF-UHFFFAOYSA-N
XLogP3.84
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80839673
2-N-ethyl-6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80801180
4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80852541
5,6-diethyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,4-triazin-3-amine
CID 105362742
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114448724
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 122324645
2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80828673
6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112915922
4-N-[1-(4-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80801489
2-N-ethyl-6-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine
CID 80855581
2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 80788066

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-methylpyrimidine-2,4-diamine (CID 80838128) is 2-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-methylpyrimidine-2,4-diamine is CCNc1nc(C)cc(NC(C)c2ccc(C)c(F)c2)n1.
What is the InChIKey of 2-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is SUYKNQQQSNHMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-5-18-16-19-11(3)8-15(21-16)20-12(4)13-7-6-10(2)14(17)9-13/h6-9,12H,5H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 2-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
2-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80838128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).