7-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-2-one

C13H21N5O — CID 143856641

IUPAC7-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-2-one
SMILESCC1CCc2c(N3CCN(C)CC3)nc(=O)[nH]c2N1
InChIInChI=1S/C13H21N5O/c1-9-3-4-10-11(14-9)15-13(19)16-12(10)18-7-5-17(2)6-8-18/h9H,3-8H2,1-2H3,(H2,14,15,16,19)
InChIKeyVFUPNPDSPQXZGS-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.27
Rot. Bonds1

About 7-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-2-one

7-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 143856641) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 7-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID143856641
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name7-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-2-one
SMILESCC1CCc2c(N3CCN(C)CC3)nc(=O)[nH]c2N1
InChIInChI=1S/C13H21N5O/c1-9-3-4-10-11(14-9)15-13(19)16-12(10)18-7-5-17(2)6-8-18/h9H,3-8H2,1-2H3,(H2,14,15,16,19)
InChIKeyVFUPNPDSPQXZGS-UHFFFAOYSA-N
XLogP0.27
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 7-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-2-one (CID 143856641) is 7-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 7-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 7-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-2-one is CC1CCc2c(N3CCN(C)CC3)nc(=O)[nH]c2N1.
What is the InChIKey of 7-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is VFUPNPDSPQXZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9-3-4-10-11(14-9)15-13(19)16-12(10)18-7-5-17(2)6-8-18/h9H,3-8H2,1-2H3,(H2,14,15,16,19).
What are the key properties of 7-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-2-one?
7-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 143856641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).