6-chloro-5-methyl-3-(1-propylpiperidin-4-yl)-1H-pyrimidine-2,4-dione

C13H20ClN3O2 — CID 113404539

IUPAC6-chloro-5-methyl-3-(1-propylpiperidin-4-yl)-1H-pyrimidine-2,4-dione
SMILESCCCN1CCC(n2c(=O)[nH]c(Cl)c(C)c2=O)CC1
InChIInChI=1S/C13H20ClN3O2/c1-3-6-16-7-4-10(5-8-16)17-12(18)9(2)11(14)15-13(17)19/h10H,3-8H2,1-2H3,(H,15,19)
InChIKeyRNVLGHLUOZFHGJ-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.55
Rot. Bonds3

About 6-chloro-5-methyl-3-(1-propylpiperidin-4-yl)-1H-pyrimidine-2,4-dione

6-chloro-5-methyl-3-(1-propylpiperidin-4-yl)-1H-pyrimidine-2,4-dione (PubChem CID 113404539) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 6-chloro-5-methyl-3-(1-propylpiperidin-4-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-methyl-3-(1-propylpiperidin-4-yl)-1H-pyrimidine-2,4-dione
PubChem CID113404539
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name6-chloro-5-methyl-3-(1-propylpiperidin-4-yl)-1H-pyrimidine-2,4-dione
SMILESCCCN1CCC(n2c(=O)[nH]c(Cl)c(C)c2=O)CC1
InChIInChI=1S/C13H20ClN3O2/c1-3-6-16-7-4-10(5-8-16)17-12(18)9(2)11(14)15-13(17)19/h10H,3-8H2,1-2H3,(H,15,19)
InChIKeyRNVLGHLUOZFHGJ-UHFFFAOYSA-N
XLogP1.55
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-propylpiperidin-4-yl)imidazolidin-2-one
CID 18340097
1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione
CID 60976367
5-(4-chlorophenyl)-4-methyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one
CID 21465541
4-methyl-3-(1-propylpiperidin-4-yl)-1H-benzimidazole-2-thione
CID 115551794
6-chloro-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
CID 172967762
3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one
CID 117208577
6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261256
7-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261525
3-methyl-1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione
CID 60976530
3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione
CID 117261540
6-chloro-3-(1-cyclohexylpropyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 113404691
6-chloro-3-(3,4-dimethylcyclohexyl)-5-ethyl-1H-pyrimidine-2,4-dione
CID 113404181

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-3-(1-propylpiperidin-4-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-methyl-3-(1-propylpiperidin-4-yl)-1H-pyrimidine-2,4-dione (CID 113404539) is 6-chloro-5-methyl-3-(1-propylpiperidin-4-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-methyl-3-(1-propylpiperidin-4-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-methyl-3-(1-propylpiperidin-4-yl)-1H-pyrimidine-2,4-dione is CCCN1CCC(n2c(=O)[nH]c(Cl)c(C)c2=O)CC1.
What is the InChIKey of 6-chloro-5-methyl-3-(1-propylpiperidin-4-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is RNVLGHLUOZFHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-3-6-16-7-4-10(5-8-16)17-12(18)9(2)11(14)15-13(17)19/h10H,3-8H2,1-2H3,(H,15,19).
What are the key properties of 6-chloro-5-methyl-3-(1-propylpiperidin-4-yl)-1H-pyrimidine-2,4-dione?
6-chloro-5-methyl-3-(1-propylpiperidin-4-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 285.77 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-3-(1-propylpiperidin-4-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113404539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).