N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine

C20H28N4O2 — CID 112856385

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(N3CCC(C)CC3)ncn2)cc1OC
InChIInChI=1S/C20H28N4O2/c1-15-7-10-24(11-8-15)20-13-19(22-14-23-20)21-9-6-16-4-5-17(25-2)18(12-16)26-3/h4-5,12-15H,6-11H2,1-3H3,(H,21,22,23)
InChIKeyUKNYEUQARPWUDJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.38
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112856385) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112856385
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(N3CCC(C)CC3)ncn2)cc1OC
InChIInChI=1S/C20H28N4O2/c1-15-7-10-24(11-8-15)20-13-19(22-14-23-20)21-9-6-16-4-5-17(25-2)18(12-16)26-3/h4-5,12-15H,6-11H2,1-3H3,(H,21,22,23)
InChIKeyUKNYEUQARPWUDJ-UHFFFAOYSA-N
XLogP3.38
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858059
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112910903
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine
CID 61236065
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112896931
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869178
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-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857228
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860212
N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109342014
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859723
N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine
CID 80834548
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112862476

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112856385) is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine is COc1ccc(CCNc2cc(N3CCC(C)CC3)ncn2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is UKNYEUQARPWUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15-7-10-24(11-8-15)20-13-19(22-14-23-20)21-9-6-16-4-5-17(25-2)18(12-16)26-3/h4-5,12-15H,6-11H2,1-3H3,(H,21,22,23).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 356.47 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112856385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).