2-methylsulfanyl-4-propan-2-yl-1H-pyrimidin-6-one

C8H12N2OS — CID 135571581

IUPAC2-methylsulfanyl-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCSc1nc(C(C)C)cc(=O)[nH]1
InChIInChI=1S/C8H12N2OS/c1-5(2)6-4-7(11)10-8(9-6)12-3/h4-5H,1-3H3,(H,9,10,11)
InChIKeyWSBGKEVVRHNGOB-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.62
Rot. Bonds2

About 2-methylsulfanyl-4-propan-2-yl-1H-pyrimidin-6-one

2-methylsulfanyl-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135571581) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-methylsulfanyl-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methylsulfanyl-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135571581
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-methylsulfanyl-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCSc1nc(C(C)C)cc(=O)[nH]1
InChIInChI=1S/C8H12N2OS/c1-5(2)6-4-7(11)10-8(9-6)12-3/h4-5H,1-3H3,(H,9,10,11)
InChIKeyWSBGKEVVRHNGOB-UHFFFAOYSA-N
XLogP1.62
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-2-(methylsulfanyl)pyrimidin-4(1H)-one
CID 135400507
2-butylsulfanyl-6-propyl-1H-pyrimidin-4-one
CID 135412238
2-(4-Hydroxy-6-propyl-2-pyrimidinylthio)acetamide
CID 135415403
6-ethyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-4(3H)-pyrimidinone
CID 135439670
2-Ethylthio-4-hydroxy-6-propylpyrimidine
CID 135402275
6-Ethyl-5-methyl-2-methylsulfanyl-pyrimidin-4-ol
CID 135450645
6-ethyl-2-[(3-fluoropropyl)sulfanyl]-4(3H)-pyrimidinone
CID 135439656
2-(sec-Butylthio)-6-propylpyrimidin-4(3H)-one
CID 135485971
5-Allyl-6-methyl-2-(methylthio)pyrimidin-4-ol
CID 135421563
2-(isobutylthio)-6-methyl-4(1H)-pyrimidinone
CID 135441967
2-(Methylthio)-6-propylpyrimidin-4-ol
CID 135412237
(4-Isopropyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-acetic acid
CID 135476967

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-methylsulfanyl-4-propan-2-yl-1H-pyrimidin-6-one (CID 135571581) is 2-methylsulfanyl-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methylsulfanyl-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-methylsulfanyl-4-propan-2-yl-1H-pyrimidin-6-one is CSc1nc(C(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-methylsulfanyl-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is WSBGKEVVRHNGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-5(2)6-4-7(11)10-8(9-6)12-3/h4-5H,1-3H3,(H,9,10,11).
What are the key properties of 2-methylsulfanyl-4-propan-2-yl-1H-pyrimidin-6-one?
2-methylsulfanyl-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 184.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135571581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).