5-chloro-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one

C10H13Cl2N3O — CID 136749170

IUPAC5-chloro-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CCN(c2nc[nH]c(=O)c2Cl)CC1Cl
InChIInChI=1S/C10H13Cl2N3O/c1-6-2-3-15(4-7(6)11)9-8(12)10(16)14-5-13-9/h5-7H,2-4H2,1H3,(H,13,14,16)
InChIKeyQFZIFBZQGAQAKX-UHFFFAOYSA-N
MW262.14 g/mol
LogP1.88
Rot. Bonds1

About 5-chloro-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one

5-chloro-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136749170) has the molecular formula C10H13Cl2N3O and a molecular weight of 262.14 g/mol. Its IUPAC name is 5-chloro-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136749170
Molecular FormulaC10H13Cl2N3O
Molecular Weight262.14 g/mol
Exact Mass261.04
IUPAC Name5-chloro-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CCN(c2nc[nH]c(=O)c2Cl)CC1Cl
InChIInChI=1S/C10H13Cl2N3O/c1-6-2-3-15(4-7(6)11)9-8(12)10(16)14-5-13-9/h5-7H,2-4H2,1H3,(H,13,14,16)
InChIKeyQFZIFBZQGAQAKX-UHFFFAOYSA-N
XLogP1.88
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009791
5-chloro-4-[2-(2-chloroethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704114
5-chloro-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731873
5-bromo-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749171
4-(3-chloro-4-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136749172
4-(3-bromo-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136749173
5-chloro-4-[4-(1-chloroethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136772455
5-bromo-4-[4-(1-chloroethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136772456
4-[4-(1-chloroethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136772457
4-[4-(1-bromoethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136772458
N-[[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792776
5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805330

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136749170) is 5-chloro-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one is CC1CCN(c2nc[nH]c(=O)c2Cl)CC1Cl.
What is the InChIKey of 5-chloro-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is QFZIFBZQGAQAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O/c1-6-2-3-15(4-7(6)11)9-8(12)10(16)14-5-13-9/h5-7H,2-4H2,1H3,(H,13,14,16).
What are the key properties of 5-chloro-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
5-chloro-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 262.14 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136749170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).