2-ethyl-6-(4-methoxy-2-methylphenyl)-N-propylpyrimidin-4-amine

C17H23N3O — CID 80939033

IUPAC2-ethyl-6-(4-methoxy-2-methylphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccc(OC)cc2C)nc(CC)n1
InChIInChI=1S/C17H23N3O/c1-5-9-18-17-11-15(19-16(6-2)20-17)14-8-7-13(21-4)10-12(14)3/h7-8,10-11H,5-6,9H2,1-4H3,(H,18,19,20)
InChIKeyXGYALWRCRXFQRV-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.84
Rot. Bonds6

About 2-ethyl-6-(4-methoxy-2-methylphenyl)-N-propylpyrimidin-4-amine

2-ethyl-6-(4-methoxy-2-methylphenyl)-N-propylpyrimidin-4-amine (PubChem CID 80939033) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-ethyl-6-(4-methoxy-2-methylphenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(4-methoxy-2-methylphenyl)-N-propylpyrimidin-4-amine
PubChem CID80939033
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-ethyl-6-(4-methoxy-2-methylphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccc(OC)cc2C)nc(CC)n1
InChIInChI=1S/C17H23N3O/c1-5-9-18-17-11-15(19-16(6-2)20-17)14-8-7-13(21-4)10-12(14)3/h7-8,10-11H,5-6,9H2,1-4H3,(H,18,19,20)
InChIKeyXGYALWRCRXFQRV-UHFFFAOYSA-N
XLogP3.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 80936844
4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine
CID 80936399
6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935957
2-ethyl-6-(5-fluoro-2-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 80939031
2-ethyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80936849
N,2-diethyl-6-(2-methylphenyl)pyrimidin-4-amine
CID 80935861
2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine
CID 80939308
N,2-diethyl-6-(3-methyl-4-pyridinyl)pyrimidin-4-amine
CID 80935529
2-(methoxymethyl)-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 102838411
5-(4-methoxyphenyl)-6-methyl-N-propylpyridazin-3-amine
CID 63270970
6-(5-chlorothiophen-2-yl)-2-ethyl-N-propylpyrimidin-4-amine
CID 80933820
8-methoxy-N-propyl-5,6-dihydrobenzo[h]cinnolin-3-amine
CID 62783867

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(4-methoxy-2-methylphenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(4-methoxy-2-methylphenyl)-N-propylpyrimidin-4-amine (CID 80939033) is 2-ethyl-6-(4-methoxy-2-methylphenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(4-methoxy-2-methylphenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(4-methoxy-2-methylphenyl)-N-propylpyrimidin-4-amine is CCCNc1cc(-c2ccc(OC)cc2C)nc(CC)n1.
What is the InChIKey of 2-ethyl-6-(4-methoxy-2-methylphenyl)-N-propylpyrimidin-4-amine?
The InChIKey is XGYALWRCRXFQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-9-18-17-11-15(19-16(6-2)20-17)14-8-7-13(21-4)10-12(14)3/h7-8,10-11H,5-6,9H2,1-4H3,(H,18,19,20).
What are the key properties of 2-ethyl-6-(4-methoxy-2-methylphenyl)-N-propylpyrimidin-4-amine?
2-ethyl-6-(4-methoxy-2-methylphenyl)-N-propylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.84, 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-methoxy-2-methylphenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80939033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).