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

C20H29N5O2 — CID 112858059

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCN1CCN(c2cc(NCCc3ccc(OC)c(OC)c3)ncn2)CC1
InChIInChI=1S/C20H29N5O2/c1-4-24-9-11-25(12-10-24)20-14-19(22-15-23-20)21-8-7-16-5-6-17(26-2)18(13-16)27-3/h5-6,13-15H,4,7-12H2,1-3H3,(H,21,22,23)
InChIKeyBXJQZLIPWRHXSR-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.29
Rot. Bonds8

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112858059) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112858059
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCN1CCN(c2cc(NCCc3ccc(OC)c(OC)c3)ncn2)CC1
InChIInChI=1S/C20H29N5O2/c1-4-24-9-11-25(12-10-24)20-14-19(22-15-23-20)21-8-7-16-5-6-17(26-2)18(13-16)27-3/h5-6,13-15H,4,7-12H2,1-3H3,(H,21,22,23)
InChIKeyBXJQZLIPWRHXSR-UHFFFAOYSA-N
XLogP2.29
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856385
6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine
CID 112856838
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine
CID 61236065
[5-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109278454
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278606
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
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-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 154745147
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861690
N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112861382

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine (CID 112858059) is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine is CCN1CCN(c2cc(NCCc3ccc(OC)c(OC)c3)ncn2)CC1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is BXJQZLIPWRHXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-4-24-9-11-25(12-10-24)20-14-19(22-15-23-20)21-8-7-16-5-6-17(26-2)18(13-16)27-3/h5-6,13-15H,4,7-12H2,1-3H3,(H,21,22,23).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 371.49 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112858059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).