1,3-dimethyl-7-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione

C14H19N5O3 — CID 616532

IUPAC1,3-dimethyl-7-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione
SMILESCN1CCN(c2cc(=O)c3c(=O)n(C)c(=O)n(C)c3[nH]2)CC1
InChIInChI=1S/C14H19N5O3/c1-16-4-6-19(7-5-16)10-8-9(20)11-12(15-10)17(2)14(22)18(3)13(11)21/h8H,4-7H2,1-3H3,(H,15,20)
InChIKeyHPZIXMAITMBTMN-UHFFFAOYSA-N
MW305.34 g/mol
LogP-1.32
Rot. Bonds1

About 1,3-dimethyl-7-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione

1,3-dimethyl-7-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione (PubChem CID 616532) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1,3-dimethyl-7-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione.

Molecular Properties

Compound Name1,3-dimethyl-7-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione
PubChem CID616532
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name1,3-dimethyl-7-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione
SMILESCN1CCN(c2cc(=O)c3c(=O)n(C)c(=O)n(C)c3[nH]2)CC1
InChIInChI=1S/C14H19N5O3/c1-16-4-6-19(7-5-16)10-8-9(20)11-12(15-10)17(2)14(22)18(3)13(11)21/h8H,4-7H2,1-3H3,(H,15,20)
InChIKeyHPZIXMAITMBTMN-UHFFFAOYSA-N
XLogP-1.32
TPSA83.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione?
The IUPAC name of 1,3-dimethyl-7-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione (CID 616532) is 1,3-dimethyl-7-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione.
What is the SMILES notation for 1,3-dimethyl-7-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione?
The canonical SMILES for 1,3-dimethyl-7-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione is CN1CCN(c2cc(=O)c3c(=O)n(C)c(=O)n(C)c3[nH]2)CC1.
What is the InChIKey of 1,3-dimethyl-7-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione?
The InChIKey is HPZIXMAITMBTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-16-4-6-19(7-5-16)10-8-9(20)11-12(15-10)17(2)14(22)18(3)13(11)21/h8H,4-7H2,1-3H3,(H,15,20).
What are the key properties of 1,3-dimethyl-7-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione?
1,3-dimethyl-7-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione has a molecular weight of 305.34 g/mol, XLogP of -1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione is sourced from PubChem (CID 616532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).