2-(dimethylamino)-4-methyl-5-methylsulfonyl-1H-pyrimidin-6-one

C8H13N3O3S — CID 135698483

IUPAC2-(dimethylamino)-4-methyl-5-methylsulfonyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)C)[nH]c(=O)c1S(C)(=O)=O
InChIInChI=1S/C8H13N3O3S/c1-5-6(15(4,13)14)7(12)10-8(9-5)11(2)3/h1-4H3,(H,9,10,12)
InChIKeyMKSGHMDKVHZFNO-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.45
Rot. Bonds2

About 2-(dimethylamino)-4-methyl-5-methylsulfonyl-1H-pyrimidin-6-one

2-(dimethylamino)-4-methyl-5-methylsulfonyl-1H-pyrimidin-6-one (PubChem CID 135698483) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methyl-5-methylsulfonyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-methyl-5-methylsulfonyl-1H-pyrimidin-6-one
PubChem CID135698483
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name2-(dimethylamino)-4-methyl-5-methylsulfonyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)C)[nH]c(=O)c1S(C)(=O)=O
InChIInChI=1S/C8H13N3O3S/c1-5-6(15(4,13)14)7(12)10-8(9-5)11(2)3/h1-4H3,(H,9,10,12)
InChIKeyMKSGHMDKVHZFNO-UHFFFAOYSA-N
XLogP-0.45
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methyl-5-methylsulfonyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-4-methyl-5-methylsulfonyl-1H-pyrimidin-6-one (CID 135698483) is 2-(dimethylamino)-4-methyl-5-methylsulfonyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-4-methyl-5-methylsulfonyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-4-methyl-5-methylsulfonyl-1H-pyrimidin-6-one is Cc1nc(N(C)C)[nH]c(=O)c1S(C)(=O)=O.
What is the InChIKey of 2-(dimethylamino)-4-methyl-5-methylsulfonyl-1H-pyrimidin-6-one?
The InChIKey is MKSGHMDKVHZFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-5-6(15(4,13)14)7(12)10-8(9-5)11(2)3/h1-4H3,(H,9,10,12).
What are the key properties of 2-(dimethylamino)-4-methyl-5-methylsulfonyl-1H-pyrimidin-6-one?
2-(dimethylamino)-4-methyl-5-methylsulfonyl-1H-pyrimidin-6-one has a molecular weight of 231.28 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methyl-5-methylsulfonyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135698483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).