6-ethyl-5-[2-(2-methoxyphenyl)ethylimino]-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione

C20H24N4O3 — CID 167998582

IUPAC6-ethyl-5-[2-(2-methoxyphenyl)ethylimino]-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCC1=CN=C2C(C(=O)N(C)C(=O)N2C)/C1=N/CCc1ccccc1OC
InChIInChI=1S/C20H24N4O3/c1-5-13-12-22-18-16(19(25)24(3)20(26)23(18)2)17(13)21-11-10-14-8-6-7-9-15(14)27-4/h6-9,12,16H,5,10-11H2,1-4H3/b21-17+
InChIKeyNXTWAZOVRQYOTA-HEHNFIMWSA-N
MW368.44 g/mol
LogP2.52
Rot. Bonds5

About 6-ethyl-5-[2-(2-methoxyphenyl)ethylimino]-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione

6-ethyl-5-[2-(2-methoxyphenyl)ethylimino]-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 167998582) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-ethyl-5-[2-(2-methoxyphenyl)ethylimino]-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-ethyl-5-[2-(2-methoxyphenyl)ethylimino]-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID167998582
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name6-ethyl-5-[2-(2-methoxyphenyl)ethylimino]-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCC1=CN=C2C(C(=O)N(C)C(=O)N2C)/C1=N/CCc1ccccc1OC
InChIInChI=1S/C20H24N4O3/c1-5-13-12-22-18-16(19(25)24(3)20(26)23(18)2)17(13)21-11-10-14-8-6-7-9-15(14)27-4/h6-9,12,16H,5,10-11H2,1-4H3/b21-17+
InChIKeyNXTWAZOVRQYOTA-HEHNFIMWSA-N
XLogP2.52
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-[2-(2-methoxyphenyl)ethylimino]-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-ethyl-5-[2-(2-methoxyphenyl)ethylimino]-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione (CID 167998582) is 6-ethyl-5-[2-(2-methoxyphenyl)ethylimino]-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-ethyl-5-[2-(2-methoxyphenyl)ethylimino]-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-ethyl-5-[2-(2-methoxyphenyl)ethylimino]-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione is CCC1=CN=C2C(C(=O)N(C)C(=O)N2C)/C1=N/CCc1ccccc1OC.
What is the InChIKey of 6-ethyl-5-[2-(2-methoxyphenyl)ethylimino]-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is NXTWAZOVRQYOTA-HEHNFIMWSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-5-13-12-22-18-16(19(25)24(3)20(26)23(18)2)17(13)21-11-10-14-8-6-7-9-15(14)27-4/h6-9,12,16H,5,10-11H2,1-4H3/b21-17+.
What are the key properties of 6-ethyl-5-[2-(2-methoxyphenyl)ethylimino]-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione?
6-ethyl-5-[2-(2-methoxyphenyl)ethylimino]-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 368.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-[2-(2-methoxyphenyl)ethylimino]-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 167998582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).