2-[(1-methylsulfinylpiperidin-4-yl)amino]-1H-pyrimidin-6-one

C10H16N4O2S — CID 126668694

IUPAC2-[(1-methylsulfinylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCS(=O)N1CCC(Nc2nccc(=O)[nH]2)CC1
InChIInChI=1S/C10H16N4O2S/c1-17(16)14-6-3-8(4-7-14)12-10-11-5-2-9(15)13-10/h2,5,8H,3-4,6-7H2,1H3,(H2,11,12,13,15)
InChIKeyYQHQJKRMEMBLSK-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.06
Rot. Bonds3

About 2-[(1-methylsulfinylpiperidin-4-yl)amino]-1H-pyrimidin-6-one

2-[(1-methylsulfinylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 126668694) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[(1-methylsulfinylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(1-methylsulfinylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID126668694
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name2-[(1-methylsulfinylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCS(=O)N1CCC(Nc2nccc(=O)[nH]2)CC1
InChIInChI=1S/C10H16N4O2S/c1-17(16)14-6-3-8(4-7-14)12-10-11-5-2-9(15)13-10/h2,5,8H,3-4,6-7H2,1H3,(H2,11,12,13,15)
InChIKeyYQHQJKRMEMBLSK-UHFFFAOYSA-N
XLogP-0.06
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylsulfinylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(1-methylsulfinylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (CID 126668694) is 2-[(1-methylsulfinylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(1-methylsulfinylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(1-methylsulfinylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is CS(=O)N1CCC(Nc2nccc(=O)[nH]2)CC1.
What is the InChIKey of 2-[(1-methylsulfinylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is YQHQJKRMEMBLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-17(16)14-6-3-8(4-7-14)12-10-11-5-2-9(15)13-10/h2,5,8H,3-4,6-7H2,1H3,(H2,11,12,13,15).
What are the key properties of 2-[(1-methylsulfinylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
2-[(1-methylsulfinylpiperidin-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 256.33 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfinylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 126668694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).