7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one

C19H20N4O2 — CID 23606550

IUPAC7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one
SMILESCc1ccc2c(CN3CCN(c4ncccn4)CC3)cc(=O)oc2c1
InChIInChI=1S/C19H20N4O2/c1-14-3-4-16-15(12-18(24)25-17(16)11-14)13-22-7-9-23(10-8-22)19-20-5-2-6-21-19/h2-6,11-12H,7-10,13H2,1H3
InChIKeyRTBLHXOYRZLIDZ-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.21
Rot. Bonds3

About 7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one

7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one (PubChem CID 23606550) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one.

Molecular Properties

Compound Name7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one
PubChem CID23606550
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one
SMILESCc1ccc2c(CN3CCN(c4ncccn4)CC3)cc(=O)oc2c1
InChIInChI=1S/C19H20N4O2/c1-14-3-4-16-15(12-18(24)25-17(16)11-14)13-22-7-9-23(10-8-22)19-20-5-2-6-21-19/h2-6,11-12H,7-10,13H2,1H3
InChIKeyRTBLHXOYRZLIDZ-UHFFFAOYSA-N
XLogP2.21
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one with MolForge

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

Launch Full Analysis

Related Compounds

7-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]chromen-2-one
CID 18167928
7-methyl-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]chromen-2-one
CID 18086300
4-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-7-methylchromen-2-one
CID 30668836
7-methyl-4-[[3-(methylamino)piperidin-1-yl]methyl]chromen-2-one
CID 62547237
7-methyl-4-[[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]methyl]chromen-2-one
CID 34725525
N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 46367791
7-methyl-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]chromen-2-one
CID 17399460
N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 17251263
7-methyl-4-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]chromen-2-one
CID 17250966
7-methyl-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]chromen-2-one
CID 167878271
7-methyl-4-[[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]methyl]chromen-2-one
CID 23608188
6,7-dimethyl-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]chromen-2-one
CID 18136600

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one?
The IUPAC name of 7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one (CID 23606550) is 7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one.
What is the SMILES notation for 7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one?
The canonical SMILES for 7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one is Cc1ccc2c(CN3CCN(c4ncccn4)CC3)cc(=O)oc2c1.
What is the InChIKey of 7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one?
The InChIKey is RTBLHXOYRZLIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-3-4-16-15(12-18(24)25-17(16)11-14)13-22-7-9-23(10-8-22)19-20-5-2-6-21-19/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of 7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one?
7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one has a molecular weight of 336.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one is sourced from PubChem (CID 23606550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).