6-(chloromethyl)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride

C7H10Cl2N2O2 — CID 155970801

IUPAC6-(chloromethyl)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1c(CCl)cc(=O)n(C)c1=O
InChIInChI=1S/C7H9ClN2O2.ClH/c1-9-5(4-8)3-6(11)10(2)7(9)12;/h3H,4H2,1-2H3;1H
InChIKeyNHOPTBXBDAKAGP-UHFFFAOYSA-N
MW225.07 g/mol
LogP0.24
Rot. Bonds1

About 6-(chloromethyl)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride

6-(chloromethyl)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride (PubChem CID 155970801) has the molecular formula C7H10Cl2N2O2 and a molecular weight of 225.07 g/mol. Its IUPAC name is 6-(chloromethyl)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name6-(chloromethyl)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
PubChem CID155970801
Molecular FormulaC7H10Cl2N2O2
Molecular Weight225.07 g/mol
Exact Mass224.01
IUPAC Name6-(chloromethyl)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1c(CCl)cc(=O)n(C)c1=O
InChIInChI=1S/C7H9ClN2O2.ClH/c1-9-5(4-8)3-6(11)10(2)7(9)12;/h3H,4H2,1-2H3;1H
InChIKeyNHOPTBXBDAKAGP-UHFFFAOYSA-N
XLogP0.24
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.07
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 26075
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CID 15210021
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CID 12699241
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CID 28064037
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CID 129741239
CID 129741239
CID 129801597
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CID 129805885
CID 129805885
CID 20349770
CID 20349770
CID 20349774
CID 20349774
CID 20349776
CID 20349776
CID 59912776
CID 59912776
CID 68675731
CID 68675731

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 6-(chloromethyl)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride (CID 155970801) is 6-(chloromethyl)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 6-(chloromethyl)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 6-(chloromethyl)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride is Cl.Cn1c(CCl)cc(=O)n(C)c1=O.
What is the InChIKey of 6-(chloromethyl)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride?
The InChIKey is NHOPTBXBDAKAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2.ClH/c1-9-5(4-8)3-6(11)10(2)7(9)12;/h3H,4H2,1-2H3;1H.
What are the key properties of 6-(chloromethyl)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride?
6-(chloromethyl)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride has a molecular weight of 225.07 g/mol, XLogP of 0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 155970801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).