N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine

C15H19N3O3 — CID 115633925

IUPACN-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1ccc(CNc2nc(C)cc(OC)n2)c(OC)c1
InChIInChI=1S/C15H19N3O3/c1-10-7-14(21-4)18-15(17-10)16-9-11-5-6-12(19-2)8-13(11)20-3/h5-8H,9H2,1-4H3,(H,16,17,18)
InChIKeyZMRDCOAIMXJOJE-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.42
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine

N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine (PubChem CID 115633925) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
PubChem CID115633925
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1ccc(CNc2nc(C)cc(OC)n2)c(OC)c1
InChIInChI=1S/C15H19N3O3/c1-10-7-14(21-4)18-15(17-10)16-9-11-5-6-12(19-2)8-13(11)20-3/h5-8H,9H2,1-4H3,(H,16,17,18)
InChIKeyZMRDCOAIMXJOJE-UHFFFAOYSA-N
XLogP2.42
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112690994
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112691004
N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 63363217
N-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112691839
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 63362749
4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 115974506
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethoxyaniline
CID 39427091
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline
CID 775191
azane;N-[(2,4-dimethoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
CID 159172305

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine (CID 115633925) is N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine is COc1ccc(CNc2nc(C)cc(OC)n2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine?
The InChIKey is ZMRDCOAIMXJOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-7-14(21-4)18-15(17-10)16-9-11-5-6-12(19-2)8-13(11)20-3/h5-8H,9H2,1-4H3,(H,16,17,18).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine?
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine has a molecular weight of 289.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine is sourced from PubChem (CID 115633925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).