5-chloro-4-(2,3,5-trimethylpiperidin-1-yl)-1H-pyrimidin-6-one

C12H18ClN3O — CID 136971666

IUPAC5-chloro-4-(2,3,5-trimethylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CC(C)C(C)N(c2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C12H18ClN3O/c1-7-4-8(2)9(3)16(5-7)11-10(13)12(17)15-6-14-11/h6-9H,4-5H2,1-3H3,(H,14,15,17)
InChIKeyNSXDLWOPULWSPP-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.29
Rot. Bonds1

About 5-chloro-4-(2,3,5-trimethylpiperidin-1-yl)-1H-pyrimidin-6-one

5-chloro-4-(2,3,5-trimethylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136971666) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-chloro-4-(2,3,5-trimethylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2,3,5-trimethylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136971666
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name5-chloro-4-(2,3,5-trimethylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CC(C)C(C)N(c2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C12H18ClN3O/c1-7-4-8(2)9(3)16(5-7)11-10(13)12(17)15-6-14-11/h6-9H,4-5H2,1-3H3,(H,14,15,17)
InChIKeyNSXDLWOPULWSPP-UHFFFAOYSA-N
XLogP2.29
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methyl-4-[2-[(3R)-1-methylpiperidin-3-yl]ethylamino]-1H-pyrimidin-6-one
CID 137148245
5-chloro-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009786
5-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009791
4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one
CID 136704106
5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136716231
5-chloro-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731873
5-chloro-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733818
5-chloro-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749170
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
4-[4-(1-bromoethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136772458
5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778294

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,3,5-trimethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2,3,5-trimethylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136971666) is 5-chloro-4-(2,3,5-trimethylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2,3,5-trimethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2,3,5-trimethylpiperidin-1-yl)-1H-pyrimidin-6-one is CC1CC(C)C(C)N(c2nc[nH]c(=O)c2Cl)C1.
What is the InChIKey of 5-chloro-4-(2,3,5-trimethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is NSXDLWOPULWSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-7-4-8(2)9(3)16(5-7)11-10(13)12(17)15-6-14-11/h6-9H,4-5H2,1-3H3,(H,14,15,17).
What are the key properties of 5-chloro-4-(2,3,5-trimethylpiperidin-1-yl)-1H-pyrimidin-6-one?
5-chloro-4-(2,3,5-trimethylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 255.75 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,3,5-trimethylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136971666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).