4-methyl-2-(3-methyl-1,4-dithian-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one

C13H20N2OS2 — CID 136967210

IUPAC4-methyl-2-(3-methyl-1,4-dithian-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(C2SCCSC2C)[nH]c(=O)c1C(C)C
InChIInChI=1S/C13H20N2OS2/c1-7(2)10-8(3)14-12(15-13(10)16)11-9(4)17-5-6-18-11/h7,9,11H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyUOPFAWULYNFKSJ-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.11
Rot. Bonds2

About 4-methyl-2-(3-methyl-1,4-dithian-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one

4-methyl-2-(3-methyl-1,4-dithian-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136967210) has the molecular formula C13H20N2OS2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 4-methyl-2-(3-methyl-1,4-dithian-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(3-methyl-1,4-dithian-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136967210
Molecular FormulaC13H20N2OS2
Molecular Weight284.45 g/mol
Exact Mass284.10
IUPAC Name4-methyl-2-(3-methyl-1,4-dithian-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(C2SCCSC2C)[nH]c(=O)c1C(C)C
InChIInChI=1S/C13H20N2OS2/c1-7(2)10-8(3)14-12(15-13(10)16)11-9(4)17-5-6-18-11/h7,9,11H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyUOPFAWULYNFKSJ-UHFFFAOYSA-N
XLogP3.11
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methyl-2-(3-methyl-1,4-dithian-2-yl)-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 136967221
4-hydroxy-5-methyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidin-6-one
CID 115385491
2-(3-ethyl-1,4-dithian-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136967205
2-[2-(3-ethyl-1,4-dithian-2-yl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 136989127
2-(1-methoxycycloheptyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136963734
1-[4-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-5-yl]ethanol
CID 113299867
4-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136886266
methyl 2-(3-methyl-1,4-dithian-2-yl)-1H-imidazole-5-carboxylate
CID 115388721
2-(2-methoxybutan-2-yl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136963738
2-(2-methoxy-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136696949
2-(3-methyl-1,4-dithian-2-yl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742901
6-methyl-5-propan-2-yl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione
CID 106478041

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methyl-1,4-dithian-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(3-methyl-1,4-dithian-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 136967210) is 4-methyl-2-(3-methyl-1,4-dithian-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(3-methyl-1,4-dithian-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(3-methyl-1,4-dithian-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one is Cc1nc(C2SCCSC2C)[nH]c(=O)c1C(C)C.
What is the InChIKey of 4-methyl-2-(3-methyl-1,4-dithian-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is UOPFAWULYNFKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS2/c1-7(2)10-8(3)14-12(15-13(10)16)11-9(4)17-5-6-18-11/h7,9,11H,5-6H2,1-4H3,(H,14,15,16).
What are the key properties of 4-methyl-2-(3-methyl-1,4-dithian-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
4-methyl-2-(3-methyl-1,4-dithian-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 284.45 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methyl-1,4-dithian-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136967210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).