6-chloro-3-piperidin-4-yl-1H-pyrimidine-2,4-dione;hydrochloride

C9H13Cl2N3O2 — CID 174989220

IUPAC6-chloro-3-piperidin-4-yl-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCl.O=c1cc(Cl)[nH]c(=O)n1C1CCNCC1
InChIInChI=1S/C9H12ClN3O2.ClH/c10-7-5-8(14)13(9(15)12-7)6-1-3-11-4-2-6;/h5-6,11H,1-4H2,(H,12,15);1H
InChIKeyWSSAEFMQMIATNK-UHFFFAOYSA-N
MW266.13 g/mol
LogP0.54
Rot. Bonds1

About 6-chloro-3-piperidin-4-yl-1H-pyrimidine-2,4-dione;hydrochloride

6-chloro-3-piperidin-4-yl-1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 174989220) has the molecular formula C9H13Cl2N3O2 and a molecular weight of 266.13 g/mol. Its IUPAC name is 6-chloro-3-piperidin-4-yl-1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name6-chloro-3-piperidin-4-yl-1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID174989220
Molecular FormulaC9H13Cl2N3O2
Molecular Weight266.13 g/mol
Exact Mass265.04
IUPAC Name6-chloro-3-piperidin-4-yl-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCl.O=c1cc(Cl)[nH]c(=O)n1C1CCNCC1
InChIInChI=1S/C9H12ClN3O2.ClH/c10-7-5-8(14)13(9(15)12-7)6-1-3-11-4-2-6;/h5-6,11H,1-4H2,(H,12,15);1H
InChIKeyWSSAEFMQMIATNK-UHFFFAOYSA-N
XLogP0.54
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-cyclopropyl-1H-pyrimidine-2,4-dione
CID 71480123
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CID 68624326
6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 70537571
6-chloro-3-piperidin-4-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one
CID 59850158
8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione
CID 117261812
3-cyclobutyl-6-methyl-1H-pyrimidine-2,4-dione
CID 69179314
7-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
CID 68624025
6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 83415288
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668
5-cyclopropyl-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
CID 68625545
6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 22380614
5-chloro-1-(fluoromethyl)-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride
CID 69190263

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-piperidin-4-yl-1H-pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 6-chloro-3-piperidin-4-yl-1H-pyrimidine-2,4-dione;hydrochloride (CID 174989220) is 6-chloro-3-piperidin-4-yl-1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 6-chloro-3-piperidin-4-yl-1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 6-chloro-3-piperidin-4-yl-1H-pyrimidine-2,4-dione;hydrochloride is Cl.O=c1cc(Cl)[nH]c(=O)n1C1CCNCC1.
What is the InChIKey of 6-chloro-3-piperidin-4-yl-1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is WSSAEFMQMIATNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2.ClH/c10-7-5-8(14)13(9(15)12-7)6-1-3-11-4-2-6;/h5-6,11H,1-4H2,(H,12,15);1H.
What are the key properties of 6-chloro-3-piperidin-4-yl-1H-pyrimidine-2,4-dione;hydrochloride?
6-chloro-3-piperidin-4-yl-1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 266.13 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-piperidin-4-yl-1H-pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 174989220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).