6-(methylamino)-3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrimidine-2,4-dione

C11H18N4O4S — CID 123384501

IUPAC6-(methylamino)-3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrimidine-2,4-dione
SMILESCNc1cc(=O)n(C2CCN(S(C)(=O)=O)CC2)c(=O)[nH]1
InChIInChI=1S/C11H18N4O4S/c1-12-9-7-10(16)15(11(17)13-9)8-3-5-14(6-4-8)20(2,18)19/h7-8,12H,3-6H2,1-2H3,(H,13,17)
InChIKeyWQWINNISYLKOFE-UHFFFAOYSA-N
MW302.36 g/mol
LogP-0.83
Rot. Bonds3

About 6-(methylamino)-3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrimidine-2,4-dione

6-(methylamino)-3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrimidine-2,4-dione (PubChem CID 123384501) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is 6-(methylamino)-3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(methylamino)-3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrimidine-2,4-dione
PubChem CID123384501
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Name6-(methylamino)-3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrimidine-2,4-dione
SMILESCNc1cc(=O)n(C2CCN(S(C)(=O)=O)CC2)c(=O)[nH]1
InChIInChI=1S/C11H18N4O4S/c1-12-9-7-10(16)15(11(17)13-9)8-3-5-14(6-4-8)20(2,18)19/h7-8,12H,3-6H2,1-2H3,(H,13,17)
InChIKeyWQWINNISYLKOFE-UHFFFAOYSA-N
XLogP-0.83
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-Aminopiperidin-1-yl)-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 56770223
6-Chloro-3-[1-(methylsulfonyl)-4-piperidinyl]-2,4(1h,3h)-pyrimidinedione
CID 117761929
6-[[(1S)-1-cyclohexylethyl]amino]-3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrimidine-2,4-dione
CID 117763120
6-(1-cyclohexylethylamino)-3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrimidine-2,4-dione
CID 117763122
N-(1,3-dicyclohexyl-2,6-dioxopyrimidin-4-yl)methanesulfonamide
CID 142628357
6-chloro-3-(1-methylsulfinylpiperidin-4-yl)-1H-pyrimidine-2,4-dione
CID 146334449
3-(4-chloro-1-methylsulfonylpiperidin-4-yl)-1H-pyrimidine-2,4-dione
CID 153516482
6-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrimidine-2,4-dione;6-chloro-3-piperidin-4-yl-1H-pyrimidine-2,4-dione;methanesulfonyl chloride
CID 158975479
N-(1-acetylpiperidin-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 16604907
N-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidin-4-yl]methanesulfonamide
CID 17569154
1,3-Dimethyl-4-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile
CID 18290302
N-methyl-N-(1-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 21008150

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(methylamino)-3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrimidine-2,4-dione (CID 123384501) is 6-(methylamino)-3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(methylamino)-3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(methylamino)-3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrimidine-2,4-dione is CNc1cc(=O)n(C2CCN(S(C)(=O)=O)CC2)c(=O)[nH]1.
What is the InChIKey of 6-(methylamino)-3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is WQWINNISYLKOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-12-9-7-10(16)15(11(17)13-9)8-3-5-14(6-4-8)20(2,18)19/h7-8,12H,3-6H2,1-2H3,(H,13,17).
What are the key properties of 6-(methylamino)-3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrimidine-2,4-dione?
6-(methylamino)-3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 302.36 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 123384501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).