N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine

C15H19N3O2 — CID 63208375

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine
SMILESCOc1ccc(CCNc2ncc(C)cn2)cc1OC
InChIInChI=1S/C15H19N3O2/c1-11-9-17-15(18-10-11)16-7-6-12-4-5-13(19-2)14(8-12)20-3/h4-5,8-10H,6-7H2,1-3H3,(H,16,17,18)
InChIKeyXNOKFAZAZJCEEU-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.46
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine (PubChem CID 63208375) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine
PubChem CID63208375
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine
SMILESCOc1ccc(CCNc2ncc(C)cn2)cc1OC
InChIInChI=1S/C15H19N3O2/c1-11-9-17-15(18-10-11)16-7-6-12-4-5-13(19-2)14(8-12)20-3/h4-5,8-10H,6-7H2,1-3H3,(H,16,17,18)
InChIKeyXNOKFAZAZJCEEU-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-2-amine
CID 63874532
N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine
CID 133431166
3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 105366661
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 2969423
5-ethyl-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyrimidin-2-amine
CID 59643398
4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine
CID 46179762
5-ethyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 59643126
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-ethylpyrimidin-2-amine
CID 59643362
2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 115978129
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109261372
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine
CID 62253339
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydrazinylpyridin-3-amine
CID 82055014

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine (CID 63208375) is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine is COc1ccc(CCNc2ncc(C)cn2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine?
The InChIKey is XNOKFAZAZJCEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-9-17-15(18-10-11)16-7-6-12-4-5-13(19-2)14(8-12)20-3/h4-5,8-10H,6-7H2,1-3H3,(H,16,17,18).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 63208375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).