6-chloro-5-propyl-3-(thiolan-3-yl)-1H-pyrimidine-2,4-dione

C11H15ClN2O2S — CID 103065582

IUPAC6-chloro-5-propyl-3-(thiolan-3-yl)-1H-pyrimidine-2,4-dione
SMILESCCCc1c(Cl)[nH]c(=O)n(C2CCSC2)c1=O
InChIInChI=1S/C11H15ClN2O2S/c1-2-3-8-9(12)13-11(16)14(10(8)15)7-4-5-17-6-7/h7H,2-6H2,1H3,(H,13,16)
InChIKeyKFSNDULNYXMJOU-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.82
Rot. Bonds3

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

6-chloro-5-propyl-3-(thiolan-3-yl)-1H-pyrimidine-2,4-dione (PubChem CID 103065582) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 6-chloro-5-propyl-3-(thiolan-3-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-propyl-3-(thiolan-3-yl)-1H-pyrimidine-2,4-dione
PubChem CID103065582
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name6-chloro-5-propyl-3-(thiolan-3-yl)-1H-pyrimidine-2,4-dione
SMILESCCCc1c(Cl)[nH]c(=O)n(C2CCSC2)c1=O
InChIInChI=1S/C11H15ClN2O2S/c1-2-3-8-9(12)13-11(16)14(10(8)15)7-4-5-17-6-7/h7H,2-6H2,1H3,(H,13,16)
InChIKeyKFSNDULNYXMJOU-UHFFFAOYSA-N
XLogP1.82
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-propyl-3-(thiolan-3-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-propyl-3-(thiolan-3-yl)-1H-pyrimidine-2,4-dione (CID 103065582) is 6-chloro-5-propyl-3-(thiolan-3-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-propyl-3-(thiolan-3-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-propyl-3-(thiolan-3-yl)-1H-pyrimidine-2,4-dione is CCCc1c(Cl)[nH]c(=O)n(C2CCSC2)c1=O.
What is the InChIKey of 6-chloro-5-propyl-3-(thiolan-3-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is KFSNDULNYXMJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-2-3-8-9(12)13-11(16)14(10(8)15)7-4-5-17-6-7/h7H,2-6H2,1H3,(H,13,16).
What are the key properties of 6-chloro-5-propyl-3-(thiolan-3-yl)-1H-pyrimidine-2,4-dione?
6-chloro-5-propyl-3-(thiolan-3-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 274.77 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-propyl-3-(thiolan-3-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 103065582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).