1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrimidine-2,4-dione

C11H10ClN3O2 — CID 79240925

IUPAC1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(Cc2cccc(Cl)n2)c(=O)[nH]c1=O
InChIInChI=1S/C11H10ClN3O2/c1-7-5-15(11(17)14-10(7)16)6-8-3-2-4-9(12)13-8/h2-5H,6H2,1H3,(H,14,16,17)
InChIKeyKGYZQSPPYGJKPS-UHFFFAOYSA-N
MW251.67 g/mol
LogP0.94
Rot. Bonds2

About 1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrimidine-2,4-dione

1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrimidine-2,4-dione (PubChem CID 79240925) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrimidine-2,4-dione
PubChem CID79240925
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(Cc2cccc(Cl)n2)c(=O)[nH]c1=O
InChIInChI=1S/C11H10ClN3O2/c1-7-5-15(11(17)14-10(7)16)6-8-3-2-4-9(12)13-8/h2-5H,6H2,1H3,(H,14,16,17)
InChIKeyKGYZQSPPYGJKPS-UHFFFAOYSA-N
XLogP0.94
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrimidine-2,4-dione 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

1-[(6-chloro-2-pyridinyl)methyl]-3-ethylimidazol-2-one
CID 80581694
5-methyl-1-[[4-[tris[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]methyl]phenyl]methyl]pyrimidine-2,4-dione
CID 139204388
3-bromo-1-[(6-chloro-2-pyridinyl)methyl]pyridin-2-one
CID 114760492
1-[(6-chloro-2-pyridinyl)methyl]-4,7-dimethylindole-2,3-dione
CID 79233346
1-[(6-chloro-2-pyridinyl)methyl]-5,6-dimethylbenzimidazole
CID 79240743
5-methyl-1-[[4-[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-dione
CID 59709014
3-[3-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 79012199
CID 52951517
CID 52951517
1-[(6-chloro-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79240099
5-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrimidine-2,4-dione
CID 66142173
5-chloro-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrimidine-2,4-dione
CID 106994229
1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-5-methylpyrimidine-2,4-dione
CID 11615992

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrimidine-2,4-dione (CID 79240925) is 1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrimidine-2,4-dione is Cc1cn(Cc2cccc(Cl)n2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is KGYZQSPPYGJKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-7-5-15(11(17)14-10(7)16)6-8-3-2-4-9(12)13-8/h2-5H,6H2,1H3,(H,14,16,17).
What are the key properties of 1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrimidine-2,4-dione?
1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 251.67 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 79240925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).