N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine

C16H21N3O2 — CID 61236065

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NCCc2ccc(OC)c(OC)c2)ncn1
InChIInChI=1S/C16H21N3O2/c1-4-13-10-16(19-11-18-13)17-8-7-12-5-6-14(20-2)15(9-12)21-3/h5-6,9-11H,4,7-8H2,1-3H3,(H,17,18,19)
InChIKeyPUPDOHLFMIMNAU-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.71
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine (PubChem CID 61236065) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine
PubChem CID61236065
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NCCc2ccc(OC)c(OC)c2)ncn1
InChIInChI=1S/C16H21N3O2/c1-4-13-10-16(19-11-18-13)17-8-7-12-5-6-14(20-2)15(9-12)21-3/h5-6,9-11H,4,7-8H2,1-3H3,(H,17,18,19)
InChIKeyPUPDOHLFMIMNAU-UHFFFAOYSA-N
XLogP2.71
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112862461
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860212
N-[(3,4-dimethoxyphenyl)methyl]-6-propylpyrimidin-4-amine
CID 61240335
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859723
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112862476
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861690
4-N-(4-chlorophenyl)-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112862488
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,6-dimethylphenyl)pyrimidine-4,6-diamine
CID 112862477
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861279
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858059
N-[3-(3,4-dimethoxyphenyl)propyl]-6-methylpyrimidin-4-amine
CID 133299019
4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136955931

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine (CID 61236065) is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine is CCc1cc(NCCc2ccc(OC)c(OC)c2)ncn1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine?
The InChIKey is PUPDOHLFMIMNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-13-10-16(19-11-18-13)17-8-7-12-5-6-14(20-2)15(9-12)21-3/h5-6,9-11H,4,7-8H2,1-3H3,(H,17,18,19).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 2.71, 7 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]-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 61236065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).