2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine

C16H21N3O — CID 80936844

IUPAC2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccc(OC)cc2)nc(CC)n1
InChIInChI=1S/C16H21N3O/c1-4-10-17-16-11-14(18-15(5-2)19-16)12-6-8-13(20-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyPKPCJKWGWIHPIT-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.54
Rot. Bonds6

About 2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine

2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine (PubChem CID 80936844) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
PubChem CID80936844
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccc(OC)cc2)nc(CC)n1
InChIInChI=1S/C16H21N3O/c1-4-10-17-16-11-14(18-15(5-2)19-16)12-6-8-13(20-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyPKPCJKWGWIHPIT-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-(4-methoxy-2-methylphenyl)-N-propylpyrimidin-4-amine
CID 80939033
6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80949110
2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine
CID 116546086
2-ethyl-6-(5-fluoro-2-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 80939031
6-phenyl-N,2-dipropylpyrimidin-4-amine
CID 55193281
2-ethyl-6-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 80936313
2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine
CID 80939308
N,2-diethyl-6-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80936235
6-(5-chlorothiophen-2-yl)-2-ethyl-N-propylpyrimidin-4-amine
CID 80933820
5-(4-methoxyphenyl)-6-methyl-N-propylpyridazin-3-amine
CID 63270970
2-ethyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80936849
2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 62191848

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine (CID 80936844) is 2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine is CCCNc1cc(-c2ccc(OC)cc2)nc(CC)n1.
What is the InChIKey of 2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine?
The InChIKey is PKPCJKWGWIHPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-10-17-16-11-14(18-15(5-2)19-16)12-6-8-13(20-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19).
What are the key properties of 2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine?
2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80936844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).