N,N-diethyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine

C14H24N4O2S — CID 56918134

IUPACN,N-diethyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
SMILESCCN(CC)c1ncc(S(C)(=O)=O)c(C2CCCNC2)n1
InChIInChI=1S/C14H24N4O2S/c1-4-18(5-2)14-16-10-12(21(3,19)20)13(17-14)11-7-6-8-15-9-11/h10-11,15H,4-9H2,1-3H3
InChIKeyXTOFWSOUGGQHMW-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.19
Rot. Bonds5

About N,N-diethyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine

N,N-diethyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine (PubChem CID 56918134) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N,N-diethyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
PubChem CID56918134
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN,N-diethyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
SMILESCCN(CC)c1ncc(S(C)(=O)=O)c(C2CCCNC2)n1
InChIInChI=1S/C14H24N4O2S/c1-4-18(5-2)14-16-10-12(21(3,19)20)13(17-14)11-7-6-8-15-9-11/h10-11,15H,4-9H2,1-3H3
InChIKeyXTOFWSOUGGQHMW-UHFFFAOYSA-N
XLogP1.19
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 95551754
N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
CID 70759893
N-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95897104
2-(3-methylbutyl)-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidine
CID 95525185
N-methyl-5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine;dihydrochloride
CID 154886844
N-(3-methylbutyl)-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95897235
1-(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)azocane;hydrochloride
CID 154885101
1-(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)azepane;hydrochloride
CID 154888601
N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 95894728
N-[(3-ethylimidazol-4-yl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
CID 70712491
2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidine
CID 95543227
2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidine
CID 95543228

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine?
The IUPAC name of N,N-diethyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine (CID 56918134) is N,N-diethyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N,N-diethyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine?
The canonical SMILES for N,N-diethyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine is CCN(CC)c1ncc(S(C)(=O)=O)c(C2CCCNC2)n1.
What is the InChIKey of N,N-diethyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine?
The InChIKey is XTOFWSOUGGQHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-4-18(5-2)14-16-10-12(21(3,19)20)13(17-14)11-7-6-8-15-9-11/h10-11,15H,4-9H2,1-3H3.
What are the key properties of N,N-diethyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine?
N,N-diethyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine has a molecular weight of 312.44 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 56918134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).