2-propan-2-ylsulfanyl-4-propyl-1H-pyrimidin-6-one

C10H16N2OS — CID 135561381

IUPAC2-propan-2-ylsulfanyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SC(C)C)n1
InChIInChI=1S/C10H16N2OS/c1-4-5-8-6-9(13)12-10(11-8)14-7(2)3/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyONAPFSOGVNPWER-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.22
Rot. Bonds4

About 2-propan-2-ylsulfanyl-4-propyl-1H-pyrimidin-6-one

2-propan-2-ylsulfanyl-4-propyl-1H-pyrimidin-6-one (PubChem CID 135561381) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-propan-2-ylsulfanyl-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-ylsulfanyl-4-propyl-1H-pyrimidin-6-one
PubChem CID135561381
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-propan-2-ylsulfanyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SC(C)C)n1
InChIInChI=1S/C10H16N2OS/c1-4-5-8-6-9(13)12-10(11-8)14-7(2)3/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyONAPFSOGVNPWER-UHFFFAOYSA-N
XLogP2.22
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-5-prop-2-enyl-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one
CID 135418926
2-butylsulfanyl-6-propyl-1H-pyrimidin-4-one
CID 135412238
2-(4-Hydroxy-6-propyl-2-pyrimidinylthio)acetamide
CID 135415403
Ethyl {[(4-hydroxy-6-propyl-2-pyrimidinyl)thio]acetyl}carbamate
CID 135414675
2-[2-oxo-3-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135415444
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135420618
Cambridge id 6966673
CID 135449182
5-allyl-2-(isopropylthio)-6-methyl-4(3H)-pyrimidinone
CID 135452183
2-[(5-Allyl-4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 135471487
6-ethyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-4(3H)-pyrimidinone
CID 135439670
6-methyl-5-prop-2-enyl-2-propylsulfanyl-1H-pyrimidin-4-one
CID 135406829
2-Ethylthio-4-hydroxy-6-propylpyrimidine
CID 135402275

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanyl-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-ylsulfanyl-4-propyl-1H-pyrimidin-6-one (CID 135561381) is 2-propan-2-ylsulfanyl-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-ylsulfanyl-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-ylsulfanyl-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(SC(C)C)n1.
What is the InChIKey of 2-propan-2-ylsulfanyl-4-propyl-1H-pyrimidin-6-one?
The InChIKey is ONAPFSOGVNPWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-5-8-6-9(13)12-10(11-8)14-7(2)3/h6-7H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 2-propan-2-ylsulfanyl-4-propyl-1H-pyrimidin-6-one?
2-propan-2-ylsulfanyl-4-propyl-1H-pyrimidin-6-one has a molecular weight of 212.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanyl-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135561381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).