2-ethyl-4-N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4,5-diamine

C15H19FN4O — CID 82455616

IUPAC2-ethyl-4-N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4,5-diamine
SMILESCCc1nc(NCCc2ccc(F)cc2)c(N)c(OC)n1
InChIInChI=1S/C15H19FN4O/c1-3-12-19-14(13(17)15(20-12)21-2)18-9-8-10-4-6-11(16)7-5-10/h4-7H,3,8-9,17H2,1-2H3,(H,18,19,20)
InChIKeyWRWOUOBMVCWXFR-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.42
Rot. Bonds6

About 2-ethyl-4-N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4,5-diamine

2-ethyl-4-N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4,5-diamine (PubChem CID 82455616) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-ethyl-4-N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4,5-diamine
PubChem CID82455616
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name2-ethyl-4-N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4,5-diamine
SMILESCCc1nc(NCCc2ccc(F)cc2)c(N)c(OC)n1
InChIInChI=1S/C15H19FN4O/c1-3-12-19-14(13(17)15(20-12)21-2)18-9-8-10-4-6-11(16)7-5-10/h4-7H,3,8-9,17H2,1-2H3,(H,18,19,20)
InChIKeyWRWOUOBMVCWXFR-UHFFFAOYSA-N
XLogP2.42
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrimidine-4,5-diamine
CID 82455350
2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine
CID 82455609
6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine
CID 82455756
2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455702
4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985293
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80785277
4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82458569
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 22541754
6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine
CID 55134343
5-fluoro-N-[2-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 61311581
N-[2-(4-chlorophenyl)ethyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80994334
4-N-[2-(4-fluorophenyl)ethyl]-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874009

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4,5-diamine?
The IUPAC name of 2-ethyl-4-N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4,5-diamine (CID 82455616) is 2-ethyl-4-N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4,5-diamine.
What is the SMILES notation for 2-ethyl-4-N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4,5-diamine?
The canonical SMILES for 2-ethyl-4-N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4,5-diamine is CCc1nc(NCCc2ccc(F)cc2)c(N)c(OC)n1.
What is the InChIKey of 2-ethyl-4-N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4,5-diamine?
The InChIKey is WRWOUOBMVCWXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-3-12-19-14(13(17)15(20-12)21-2)18-9-8-10-4-6-11(16)7-5-10/h4-7H,3,8-9,17H2,1-2H3,(H,18,19,20).
What are the key properties of 2-ethyl-4-N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4,5-diamine?
2-ethyl-4-N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4,5-diamine has a molecular weight of 290.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4,5-diamine is sourced from PubChem (CID 82455616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).