8-methyl-2-[4-[(5-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one

C18H25N7O — CID 138374303

IUPAC8-methyl-2-[4-[(5-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
SMILESCc1cnc(CN2CCN(C3=NC(=O)C4CCCN(C)C4=N3)CC2)nc1
InChIInChI=1S/C18H25N7O/c1-13-10-19-15(20-11-13)12-24-6-8-25(9-7-24)18-21-16-14(17(26)22-18)4-3-5-23(16)2/h10-11,14H,3-9,12H2,1-2H3
InChIKeyGHMAGGJBBGNJDE-UHFFFAOYSA-N
MW355.45 g/mol
LogP0.54
Rot. Bonds2

About 8-methyl-2-[4-[(5-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one

8-methyl-2-[4-[(5-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 138374303) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 8-methyl-2-[4-[(5-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-methyl-2-[4-[(5-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
PubChem CID138374303
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name8-methyl-2-[4-[(5-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
SMILESCc1cnc(CN2CCN(C3=NC(=O)C4CCCN(C)C4=N3)CC2)nc1
InChIInChI=1S/C18H25N7O/c1-13-10-19-15(20-11-13)12-24-6-8-25(9-7-24)18-21-16-14(17(26)22-18)4-3-5-23(16)2/h10-11,14H,3-9,12H2,1-2H3
InChIKeyGHMAGGJBBGNJDE-UHFFFAOYSA-N
XLogP0.54
TPSA77.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-methyl-2-[4-[(5-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[4-[(5-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 8-methyl-2-[4-[(5-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one (CID 138374303) is 8-methyl-2-[4-[(5-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 8-methyl-2-[4-[(5-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 8-methyl-2-[4-[(5-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one is Cc1cnc(CN2CCN(C3=NC(=O)C4CCCN(C)C4=N3)CC2)nc1.
What is the InChIKey of 8-methyl-2-[4-[(5-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is GHMAGGJBBGNJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-13-10-19-15(20-11-13)12-24-6-8-25(9-7-24)18-21-16-14(17(26)22-18)4-3-5-23(16)2/h10-11,14H,3-9,12H2,1-2H3.
What are the key properties of 8-methyl-2-[4-[(5-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
8-methyl-2-[4-[(5-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 355.45 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[4-[(5-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 138374303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).