2-(4-methylpiperazin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one

C12H15N5O — CID 137160812

IUPAC2-(4-methylpiperazin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCN1CCN(c2nc3ncccc3c(=O)[nH]2)CC1
InChIInChI=1S/C12H15N5O/c1-16-5-7-17(8-6-16)12-14-10-9(11(18)15-12)3-2-4-13-10/h2-4H,5-8H2,1H3,(H,13,14,15,18)
InChIKeyRNNLLWQVHSILJG-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.07
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one

2-(4-methylpiperazin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 137160812) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID137160812
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-(4-methylpiperazin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCN1CCN(c2nc3ncccc3c(=O)[nH]2)CC1
InChIInChI=1S/C12H15N5O/c1-16-5-7-17(8-6-16)12-14-10-9(11(18)15-12)3-2-4-13-10/h2-4H,5-8H2,1H3,(H,13,14,15,18)
InChIKeyRNNLLWQVHSILJG-UHFFFAOYSA-N
XLogP0.07
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one (CID 137160812) is 2-(4-methylpiperazin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one is CN1CCN(c2nc3ncccc3c(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is RNNLLWQVHSILJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-16-5-7-17(8-6-16)12-14-10-9(11(18)15-12)3-2-4-13-10/h2-4H,5-8H2,1H3,(H,13,14,15,18).
What are the key properties of 2-(4-methylpiperazin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one?
2-(4-methylpiperazin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 245.29 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137160812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).