6-chloro-5-hexyl-1H-pyrimidine-2,4-dione

C10H15ClN2O2 — CID 23648511

IUPAC6-chloro-5-hexyl-1H-pyrimidine-2,4-dione
SMILESCCCCCCc1c(Cl)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H15ClN2O2/c1-2-3-4-5-6-7-8(11)12-10(15)13-9(7)14/h2-6H2,1H3,(H2,12,13,14,15)
InChIKeyKRFZZHACLHGMCH-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.84
Rot. Bonds5

About 6-chloro-5-hexyl-1H-pyrimidine-2,4-dione

6-chloro-5-hexyl-1H-pyrimidine-2,4-dione (PubChem CID 23648511) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 6-chloro-5-hexyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-hexyl-1H-pyrimidine-2,4-dione
PubChem CID23648511
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name6-chloro-5-hexyl-1H-pyrimidine-2,4-dione
SMILESCCCCCCc1c(Cl)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H15ClN2O2/c1-2-3-4-5-6-7-8(11)12-10(15)13-9(7)14/h2-6H2,1H3,(H2,12,13,14,15)
InChIKeyKRFZZHACLHGMCH-UHFFFAOYSA-N
XLogP1.84
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-5-hexyl-1H-pyrimidine-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

4-methyl-5-pentyl-1,3-dihydroimidazol-2-one
CID 13478903
3-heptyl-4-methyl-1H-quinolin-2-one
CID 70126082
4-methyl-3-pentyl-1H-quinolin-2-one
CID 46708124
3-chloro-4-pentylcyclobut-3-ene-1,2-dione
CID 88506300
4-hydroxy-5-undecyl-1,3-dihydroimidazol-2-one
CID 54149435
2-amino-4-ethyl-5-hexyl-1H-pyrimidin-6-one
CID 136955171
5,6-dipropyl-1H-pyrimidine-2,4-dione
CID 154112220
6-pentyl-2H-1,2,4-triazine-3,5-dione
CID 45071934
6-chloro-3-hexyl-5-propyl-1H-pyrimidine-2,4-dione
CID 113404730
5-ethyl-4-sulfanylidene-6-tetradecyl-1H-pyrimidin-2-one
CID 125483893
4,5-dioctyl-1,2-thiazol-3-one
CID 141215517
5-propyl-6-sulfanyl-1H-pyrimidine-2,4-dione
CID 57268919

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-hexyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-hexyl-1H-pyrimidine-2,4-dione (CID 23648511) is 6-chloro-5-hexyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-hexyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-hexyl-1H-pyrimidine-2,4-dione is CCCCCCc1c(Cl)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-chloro-5-hexyl-1H-pyrimidine-2,4-dione?
The InChIKey is KRFZZHACLHGMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-2-3-4-5-6-7-8(11)12-10(15)13-9(7)14/h2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 6-chloro-5-hexyl-1H-pyrimidine-2,4-dione?
6-chloro-5-hexyl-1H-pyrimidine-2,4-dione has a molecular weight of 230.69 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-hexyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23648511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).