6-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine

C15H20FN5 — CID 80839673

IUPAC6-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC(C)c2ccc(C)c(F)c2)nc(N)n1
InChIInChI=1S/C15H20FN5/c1-4-18-13-8-14(21-15(17)20-13)19-10(3)11-6-5-9(2)12(16)7-11/h5-8,10H,4H2,1-3H3,(H4,17,18,19,20,21)
InChIKeyCFPBVPMCWPOZSD-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.11
Rot. Bonds5

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

6-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine (PubChem CID 80839673) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
PubChem CID80839673
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name6-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC(C)c2ccc(C)c(F)c2)nc(N)n1
InChIInChI=1S/C15H20FN5/c1-4-18-13-8-14(21-15(17)20-13)19-10(3)11-6-5-9(2)12(16)7-11/h5-8,10H,4H2,1-3H3,(H4,17,18,19,20,21)
InChIKeyCFPBVPMCWPOZSD-UHFFFAOYSA-N
XLogP3.11
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 80838128
4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80807102
6-N,2-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80940032
4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80783031
6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4,6-triamine
CID 80781743
4-N-[1-(4-bromophenyl)ethyl]-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80802039
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
4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329097
6-N,2-diethyl-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80940133
4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80852541

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine (CID 80839673) is 6-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine is CCNc1cc(NC(C)c2ccc(C)c(F)c2)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine?
The InChIKey is CFPBVPMCWPOZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5/c1-4-18-13-8-14(21-15(17)20-13)19-10(3)11-6-5-9(2)12(16)7-11/h5-8,10H,4H2,1-3H3,(H4,17,18,19,20,21).
What are the key properties of 6-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine has a molecular weight of 289.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80839673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).