6-chloro-3-[2-(oxan-2-yl)ethyl]-5-propyl-1H-pyrimidine-2,4-dione

C14H21ClN2O3 — CID 106003024

IUPAC6-chloro-3-[2-(oxan-2-yl)ethyl]-5-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1c(Cl)[nH]c(=O)n(CCC2CCCCO2)c1=O
InChIInChI=1S/C14H21ClN2O3/c1-2-5-11-12(15)16-14(19)17(13(11)18)8-7-10-6-3-4-9-20-10/h10H,2-9H2,1H3,(H,16,19)
InChIKeyKFYWWVBSLFRMJY-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.10
Rot. Bonds5

About 6-chloro-3-[2-(oxan-2-yl)ethyl]-5-propyl-1H-pyrimidine-2,4-dione

6-chloro-3-[2-(oxan-2-yl)ethyl]-5-propyl-1H-pyrimidine-2,4-dione (PubChem CID 106003024) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 6-chloro-3-[2-(oxan-2-yl)ethyl]-5-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-[2-(oxan-2-yl)ethyl]-5-propyl-1H-pyrimidine-2,4-dione
PubChem CID106003024
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name6-chloro-3-[2-(oxan-2-yl)ethyl]-5-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1c(Cl)[nH]c(=O)n(CCC2CCCCO2)c1=O
InChIInChI=1S/C14H21ClN2O3/c1-2-5-11-12(15)16-14(19)17(13(11)18)8-7-10-6-3-4-9-20-10/h10H,2-9H2,1H3,(H,16,19)
InChIKeyKFYWWVBSLFRMJY-UHFFFAOYSA-N
XLogP2.10
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-(2-cyclobutylethyl)-5-propyl-1H-pyrimidine-2,4-dione
CID 113479595
6-chloro-3-[(2,2-dimethylcyclopropyl)methyl]-5-propyl-1H-pyrimidine-2,4-dione
CID 114109898
5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 112600120
6-chloro-3-(cyclohexylmethyl)-5-ethyl-1H-pyrimidine-2,4-dione
CID 113404478
7-fluoro-6-methoxy-3-[3-(oxan-2-yl)propyl]-1H-quinazoline-2,4-dione
CID 167818036
5,5-diethyl-1-[2-(oxan-2-yl)ethyl]-1,3-diazinane-2,4,6-trione
CID 106006095
3-[2-(oxan-2-yl)ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 106000051
5-ethyl-5-methyl-3-[2-(oxan-2-yl)ethyl]-2-propylimidazolidin-4-one
CID 106000174
6-chloro-5-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione
CID 113404592
1-[2-(oxan-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 106003016
6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine
CID 55228553
3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002965

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(oxan-2-yl)ethyl]-5-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-[2-(oxan-2-yl)ethyl]-5-propyl-1H-pyrimidine-2,4-dione (CID 106003024) is 6-chloro-3-[2-(oxan-2-yl)ethyl]-5-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-[2-(oxan-2-yl)ethyl]-5-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-[2-(oxan-2-yl)ethyl]-5-propyl-1H-pyrimidine-2,4-dione is CCCc1c(Cl)[nH]c(=O)n(CCC2CCCCO2)c1=O.
What is the InChIKey of 6-chloro-3-[2-(oxan-2-yl)ethyl]-5-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is KFYWWVBSLFRMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-2-5-11-12(15)16-14(19)17(13(11)18)8-7-10-6-3-4-9-20-10/h10H,2-9H2,1H3,(H,16,19).
What are the key properties of 6-chloro-3-[2-(oxan-2-yl)ethyl]-5-propyl-1H-pyrimidine-2,4-dione?
6-chloro-3-[2-(oxan-2-yl)ethyl]-5-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 300.79 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(oxan-2-yl)ethyl]-5-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 106003024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).