2-(4-ethylpiperazin-1-yl)-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

C20H25N5O3 — CID 135637717

IUPAC2-(4-ethylpiperazin-1-yl)-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCN1CCN(c2nc3c(c(=O)[nH]2)C(c2cccc(OC)c2)CC(=O)N3)CC1
InChIInChI=1S/C20H25N5O3/c1-3-24-7-9-25(10-8-24)20-22-18-17(19(27)23-20)15(12-16(26)21-18)13-5-4-6-14(11-13)28-2/h4-6,11,15H,3,7-10,12H2,1-2H3,(H2,21,22,23,26,27)
InChIKeyUOZLYGQTFVTYHA-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.39
Rot. Bonds4

About 2-(4-ethylpiperazin-1-yl)-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

2-(4-ethylpiperazin-1-yl)-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135637717) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135637717
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name2-(4-ethylpiperazin-1-yl)-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCN1CCN(c2nc3c(c(=O)[nH]2)C(c2cccc(OC)c2)CC(=O)N3)CC1
InChIInChI=1S/C20H25N5O3/c1-3-24-7-9-25(10-8-24)20-22-18-17(19(27)23-20)15(12-16(26)21-18)13-5-4-6-14(11-13)28-2/h4-6,11,15H,3,7-10,12H2,1-2H3,(H2,21,22,23,26,27)
InChIKeyUOZLYGQTFVTYHA-UHFFFAOYSA-N
XLogP1.39
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135637717) is 2-(4-ethylpiperazin-1-yl)-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is CCN1CCN(c2nc3c(c(=O)[nH]2)C(c2cccc(OC)c2)CC(=O)N3)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is UOZLYGQTFVTYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-3-24-7-9-25(10-8-24)20-22-18-17(19(27)23-20)15(12-16(26)21-18)13-5-4-6-14(11-13)28-2/h4-6,11,15H,3,7-10,12H2,1-2H3,(H2,21,22,23,26,27).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-(4-ethylpiperazin-1-yl)-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 383.45 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135637717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).