8-(2-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one

C19H23ClN6O — CID 18425442

IUPAC8-(2-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
SMILESCN1CCC(N(C)c2ncc3c(n2)N(c2ccccc2Cl)C(=O)NC3)CC1
InChIInChI=1S/C19H23ClN6O/c1-24-9-7-14(8-10-24)25(2)18-21-11-13-12-22-19(27)26(17(13)23-18)16-6-4-3-5-15(16)20/h3-6,11,14H,7-10,12H2,1-2H3,(H,22,27)
InChIKeyWLDGJUNOQIMIAR-UHFFFAOYSA-N
MW386.89 g/mol
LogP3.02
Rot. Bonds3

About 8-(2-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one

8-(2-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one (PubChem CID 18425442) has the molecular formula C19H23ClN6O and a molecular weight of 386.89 g/mol. Its IUPAC name is 8-(2-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
PubChem CID18425442
Molecular FormulaC19H23ClN6O
Molecular Weight386.89 g/mol
Exact Mass386.16
IUPAC Name8-(2-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
SMILESCN1CCC(N(C)c2ncc3c(n2)N(c2ccccc2Cl)C(=O)NC3)CC1
InChIInChI=1S/C19H23ClN6O/c1-24-9-7-14(8-10-24)25(2)18-21-11-13-12-22-19(27)26(17(13)23-18)16-6-4-3-5-15(16)20/h3-6,11,14H,7-10,12H2,1-2H3,(H,22,27)
InChIKeyWLDGJUNOQIMIAR-UHFFFAOYSA-N
XLogP3.02
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(2-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-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-(2-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one?
The IUPAC name of 8-(2-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one (CID 18425442) is 8-(2-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one?
The canonical SMILES for 8-(2-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one is CN1CCC(N(C)c2ncc3c(n2)N(c2ccccc2Cl)C(=O)NC3)CC1.
What is the InChIKey of 8-(2-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one?
The InChIKey is WLDGJUNOQIMIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6O/c1-24-9-7-14(8-10-24)25(2)18-21-11-13-12-22-19(27)26(17(13)23-18)16-6-4-3-5-15(16)20/h3-6,11,14H,7-10,12H2,1-2H3,(H,22,27).
What are the key properties of 8-(2-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one?
8-(2-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one has a molecular weight of 386.89 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 18425442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).