N-[2-(2,5-dimethoxyphenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine

C20H23N3O3S — CID 146624200

IUPACN-[2-(2,5-dimethoxyphenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine
SMILESCCOc1csc(-c2cc(NCCc3cc(OC)ccc3OC)ncn2)c1
InChIInChI=1S/C20H23N3O3S/c1-4-26-16-10-19(27-12-16)17-11-20(23-13-22-17)21-8-7-14-9-15(24-2)5-6-18(14)25-3/h5-6,9-13H,4,7-8H2,1-3H3,(H,21,22,23)
InChIKeyPQCLHXTXNWFTSC-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.28
Rot. Bonds9

About N-[2-(2,5-dimethoxyphenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine

N-[2-(2,5-dimethoxyphenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine (PubChem CID 146624200) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine
PubChem CID146624200
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[2-(2,5-dimethoxyphenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine
SMILESCCOc1csc(-c2cc(NCCc3cc(OC)ccc3OC)ncn2)c1
InChIInChI=1S/C20H23N3O3S/c1-4-26-16-10-19(27-12-16)17-11-20(23-13-22-17)21-8-7-14-9-15(24-2)5-6-18(14)25-3/h5-6,9-13H,4,7-8H2,1-3H3,(H,21,22,23)
InChIKeyPQCLHXTXNWFTSC-UHFFFAOYSA-N
XLogP4.28
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-ethoxy-4-fluorophenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine
CID 175922419
N-[2-(4-bromo-2-methylphenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine
CID 175922417
6-(4-ethoxythiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
CID 175922408
N-[2-(5-chloro-7-methoxy-2-methyl-1-benzofuran-3-yl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine
CID 175793430
6-(4-ethoxythiophen-2-yl)-N-[2-(1H-indol-6-yl)ethyl]pyrimidin-4-amine
CID 175954499
6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 66324894
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860212
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861690
N-[2-(2,4-dimethylindol-1-yl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine
CID 135333449
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860204
2-[2-ethoxy-4-[6-[2-(3-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]phenoxy]acetic acid
CID 135381164
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855105

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine (CID 146624200) is N-[2-(2,5-dimethoxyphenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine is CCOc1csc(-c2cc(NCCc3cc(OC)ccc3OC)ncn2)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine?
The InChIKey is PQCLHXTXNWFTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-4-26-16-10-19(27-12-16)17-11-20(23-13-22-17)21-8-7-14-9-15(24-2)5-6-18(14)25-3/h5-6,9-13H,4,7-8H2,1-3H3,(H,21,22,23).
What are the key properties of N-[2-(2,5-dimethoxyphenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine?
N-[2-(2,5-dimethoxyphenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine has a molecular weight of 385.49 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 146624200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).