6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine

C16H21N3O — CID 65416274

IUPAC6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCCc2ccc(OC)cc2)nc(C)n1
InChIInChI=1S/C16H21N3O/c1-4-14-11-16(19-12(2)18-14)17-10-9-13-5-7-15(20-3)8-6-13/h5-8,11H,4,9-10H2,1-3H3,(H,17,18,19)
InChIKeyBVHYQBNWDLCOAK-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.01
Rot. Bonds6

About 6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine

6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine (PubChem CID 65416274) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
PubChem CID65416274
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCCc2ccc(OC)cc2)nc(C)n1
InChIInChI=1S/C16H21N3O/c1-4-14-11-16(19-12(2)18-14)17-10-9-13-5-7-15(20-3)8-6-13/h5-8,11H,4,9-10H2,1-3H3,(H,17,18,19)
InChIKeyBVHYQBNWDLCOAK-UHFFFAOYSA-N
XLogP3.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 65418225
4-N-[2-(4-fluorophenyl)ethyl]-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874009
4-N-(4-methoxyphenyl)-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874321
4-N,4-N-diethyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874276
6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872053
5-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-2-methoxybenzenesulfonamide
CID 133462312
6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112874289
2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 62476087
6-ethyl-2-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 65417794
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869178
4-N-(4-chloro-2-methylphenyl)-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874314
[2-(iodomethyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]methanol
CID 89323620

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine (CID 65416274) is 6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine is CCc1cc(NCCc2ccc(OC)cc2)nc(C)n1.
What is the InChIKey of 6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
The InChIKey is BVHYQBNWDLCOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-14-11-16(19-12(2)18-14)17-10-9-13-5-7-15(20-3)8-6-13/h5-8,11H,4,9-10H2,1-3H3,(H,17,18,19).
What are the key properties of 6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 65416274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).