5-methoxy-4-[(2-methyl-2-methylsulfonylpropyl)amino]-1H-pyrimidin-6-one

C10H17N3O4S — CID 136976341

IUPAC5-methoxy-4-[(2-methyl-2-methylsulfonylpropyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC(C)(C)S(C)(=O)=O)nc[nH]c1=O
InChIInChI=1S/C10H17N3O4S/c1-10(2,18(4,15)16)5-11-8-7(17-3)9(14)13-6-12-8/h6H,5H2,1-4H3,(H2,11,12,13,14)
InChIKeyRTMNANOYRVNMGL-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.01
Rot. Bonds5

About 5-methoxy-4-[(2-methyl-2-methylsulfonylpropyl)amino]-1H-pyrimidin-6-one

5-methoxy-4-[(2-methyl-2-methylsulfonylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136976341) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-methoxy-4-[(2-methyl-2-methylsulfonylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(2-methyl-2-methylsulfonylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID136976341
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name5-methoxy-4-[(2-methyl-2-methylsulfonylpropyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC(C)(C)S(C)(=O)=O)nc[nH]c1=O
InChIInChI=1S/C10H17N3O4S/c1-10(2,18(4,15)16)5-11-8-7(17-3)9(14)13-6-12-8/h6H,5H2,1-4H3,(H2,11,12,13,14)
InChIKeyRTMNANOYRVNMGL-UHFFFAOYSA-N
XLogP0.01
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(2-methyl-2-methylsulfonylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(2-methyl-2-methylsulfonylpropyl)amino]-1H-pyrimidin-6-one (CID 136976341) is 5-methoxy-4-[(2-methyl-2-methylsulfonylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(2-methyl-2-methylsulfonylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(2-methyl-2-methylsulfonylpropyl)amino]-1H-pyrimidin-6-one is COc1c(NCC(C)(C)S(C)(=O)=O)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(2-methyl-2-methylsulfonylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is RTMNANOYRVNMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-10(2,18(4,15)16)5-11-8-7(17-3)9(14)13-6-12-8/h6H,5H2,1-4H3,(H2,11,12,13,14).
What are the key properties of 5-methoxy-4-[(2-methyl-2-methylsulfonylpropyl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[(2-methyl-2-methylsulfonylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 275.33 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(2-methyl-2-methylsulfonylpropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).