4-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine

C15H19N3O2 — CID 142928408

IUPAC4-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(Cc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C15H19N3O2/c1-4-16-15-17-8-7-12(18-15)9-11-5-6-13(19-2)14(10-11)20-3/h5-8,10H,4,9H2,1-3H3,(H,16,17,18)
InChIKeyDLWKROPUYMSWGB-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.52
Rot. Bonds6

About 4-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine

4-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine (PubChem CID 142928408) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine
PubChem CID142928408
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(Cc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C15H19N3O2/c1-4-16-15-17-8-7-12(18-15)9-11-5-6-13(19-2)14(10-11)20-3/h5-8,10H,4,9H2,1-3H3,(H,16,17,18)
InChIKeyDLWKROPUYMSWGB-UHFFFAOYSA-N
XLogP2.52
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536
2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 115978129
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine
CID 116977083
4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 175987067
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine
CID 60864984
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893834
4-N-(4-tert-butylphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897317
4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80763652
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893149
4-N-(2,4-dimethoxyphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897338
4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897039

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine (CID 142928408) is 4-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine is CCNc1nccc(Cc2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine?
The InChIKey is DLWKROPUYMSWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-16-15-17-8-7-12(18-15)9-11-5-6-13(19-2)14(10-11)20-3/h5-8,10H,4,9H2,1-3H3,(H,16,17,18).
What are the key properties of 4-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine?
4-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 142928408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).