N-ethyl-4-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-2-amine

C16H21N3O — CID 103434552

IUPACN-ethyl-4-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(-c2ccc(C)c(C)c2OC)n1
InChIInChI=1S/C16H21N3O/c1-6-17-16-18-9-11(3)14(19-16)13-8-7-10(2)12(4)15(13)20-5/h7-9H,6H2,1-5H3,(H,17,18,19)
InChIKeyINHGTVAJPIHHIE-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.51
Rot. Bonds4

About N-ethyl-4-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-2-amine

N-ethyl-4-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-2-amine (PubChem CID 103434552) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-ethyl-4-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-2-amine
PubChem CID103434552
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-4-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(-c2ccc(C)c(C)c2OC)n1
InChIInChI=1S/C16H21N3O/c1-6-17-16-18-9-11(3)14(19-16)13-8-7-10(2)12(4)15(13)20-5/h7-9H,6H2,1-5H3,(H,17,18,19)
InChIKeyINHGTVAJPIHHIE-UHFFFAOYSA-N
XLogP3.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-methyl-4-quinolin-5-ylpyrimidin-2-amine
CID 81221672
4-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-5-methylpyrimidin-2-amine
CID 106763725
4-(3-chlorothiophen-2-yl)-N-ethyl-5-methylpyrimidin-2-amine
CID 107361086
4-chloro-5-methoxy-6-(2-methoxy-3,4-dimethylphenyl)pyrimidine
CID 103434429
N-ethyl-4-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-2-amine
CID 80881136
4-(2-methoxy-3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 103434577
4-(4-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-2-amine
CID 116506911
4-(2-chloro-5-fluorophenyl)-5-methyl-N-propylpyrimidin-2-amine
CID 105396175
N-ethyl-5-methyl-4-(1-phenylethoxy)pyrimidin-2-amine
CID 80859942
N-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-2-amine
CID 113427596
N-[[4-(2-methoxy-3,4-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
CID 103434154
2-N,4-N,4-N-triethyl-5-methylpyrimidine-2,4-diamine
CID 80766610

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-2-amine (CID 103434552) is N-ethyl-4-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-2-amine is CCNc1ncc(C)c(-c2ccc(C)c(C)c2OC)n1.
What is the InChIKey of N-ethyl-4-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-2-amine?
The InChIKey is INHGTVAJPIHHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-6-17-16-18-9-11(3)14(19-16)13-8-7-10(2)12(4)15(13)20-5/h7-9H,6H2,1-5H3,(H,17,18,19).
What are the key properties of N-ethyl-4-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-2-amine?
N-ethyl-4-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 103434552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).