5-methoxy-4-(1-methylsulfonylpropan-2-ylamino)-1H-pyrimidin-6-one

C9H15N3O4S — CID 136976004

IUPAC5-methoxy-4-(1-methylsulfonylpropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCOc1c(NC(C)CS(C)(=O)=O)nc[nH]c1=O
InChIInChI=1S/C9H15N3O4S/c1-6(4-17(3,14)15)12-8-7(16-2)9(13)11-5-10-8/h5-6H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyMIGHGHIUIYWYPM-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.38
Rot. Bonds5

About 5-methoxy-4-(1-methylsulfonylpropan-2-ylamino)-1H-pyrimidin-6-one

5-methoxy-4-(1-methylsulfonylpropan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136976004) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-methoxy-4-(1-methylsulfonylpropan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(1-methylsulfonylpropan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136976004
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name5-methoxy-4-(1-methylsulfonylpropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCOc1c(NC(C)CS(C)(=O)=O)nc[nH]c1=O
InChIInChI=1S/C9H15N3O4S/c1-6(4-17(3,14)15)12-8-7(16-2)9(13)11-5-10-8/h5-6H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyMIGHGHIUIYWYPM-UHFFFAOYSA-N
XLogP-0.38
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(1-methylsulfonylpropan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(1-methylsulfonylpropan-2-ylamino)-1H-pyrimidin-6-one (CID 136976004) is 5-methoxy-4-(1-methylsulfonylpropan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(1-methylsulfonylpropan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(1-methylsulfonylpropan-2-ylamino)-1H-pyrimidin-6-one is COc1c(NC(C)CS(C)(=O)=O)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(1-methylsulfonylpropan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is MIGHGHIUIYWYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-6(4-17(3,14)15)12-8-7(16-2)9(13)11-5-10-8/h5-6H,4H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 5-methoxy-4-(1-methylsulfonylpropan-2-ylamino)-1H-pyrimidin-6-one?
5-methoxy-4-(1-methylsulfonylpropan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 261.30 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(1-methylsulfonylpropan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136976004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).