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

C17H23N3O3 — CID 646275

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-6-methylpyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCCc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C17H23N3O3/c1-5-23-16-10-12(2)19-17(20-16)18-9-8-13-6-7-14(21-3)15(11-13)22-4/h6-7,10-11H,5,8-9H2,1-4H3,(H,18,19,20)
InChIKeyJKVZTESDEURWDS-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.86
Rot. Bonds8

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-6-methylpyrimidin-2-amine (PubChem CID 646275) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-6-methylpyrimidin-2-amine
PubChem CID646275
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-6-methylpyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCCc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C17H23N3O3/c1-5-23-16-10-12(2)19-17(20-16)18-9-8-13-6-7-14(21-3)15(11-13)22-4/h6-7,10-11H,5,8-9H2,1-4H3,(H,18,19,20)
InChIKeyJKVZTESDEURWDS-UHFFFAOYSA-N
XLogP2.86
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-6-methylpyrimidin-2-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-6-methylpyrimidin-2-amine (CID 646275) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-6-methylpyrimidin-2-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-6-methylpyrimidin-2-amine is CCOc1cc(C)nc(NCCc2ccc(OC)c(OC)c2)n1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-6-methylpyrimidin-2-amine?
The InChIKey is JKVZTESDEURWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-5-23-16-10-12(2)19-17(20-16)18-9-8-13-6-7-14(21-3)15(11-13)22-4/h6-7,10-11H,5,8-9H2,1-4H3,(H,18,19,20).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-6-methylpyrimidin-2-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-6-methylpyrimidin-2-amine has a molecular weight of 317.39 g/mol, XLogP of 2.86, 8 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]-4-ethoxy-6-methylpyrimidin-2-amine is sourced from PubChem (CID 646275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).