N-[(3-ethylimidazol-4-yl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine

C16H24N6O2S — CID 70712491

IUPACN-[(3-ethylimidazol-4-yl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
SMILESCCn1cncc1CNc1ncc(S(C)(=O)=O)c(C2CCCNC2)n1
InChIInChI=1S/C16H24N6O2S/c1-3-22-11-18-8-13(22)9-19-16-20-10-14(25(2,23)24)15(21-16)12-5-4-6-17-7-12/h8,10-12,17H,3-7,9H2,1-2H3,(H,19,20,21)
InChIKeyLPTQWECYJOHOMN-UHFFFAOYSA-N
MW364.48 g/mol
LogP1.18
Rot. Bonds6

About N-[(3-ethylimidazol-4-yl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine

N-[(3-ethylimidazol-4-yl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine (PubChem CID 70712491) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
PubChem CID70712491
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
SMILESCCn1cncc1CNc1ncc(S(C)(=O)=O)c(C2CCCNC2)n1
InChIInChI=1S/C16H24N6O2S/c1-3-22-11-18-8-13(22)9-19-16-20-10-14(25(2,23)24)15(21-16)12-5-4-6-17-7-12/h8,10-12,17H,3-7,9H2,1-2H3,(H,19,20,21)
InChIKeyLPTQWECYJOHOMN-UHFFFAOYSA-N
XLogP1.18
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-methylbutyl)-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95897235
N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 95894728
N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
CID 70759893
5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine
CID 70716018
5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine
CID 95874828
5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine;dihydrochloride
CID 154884571
5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 95870418
5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 95893655
N-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95897104
N-[(3,4-difluorophenyl)methyl]-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95862886
5-methylsulfonyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-piperidin-3-ylpyrimidin-2-amine
CID 70753406
N-[(4-methyl-2-pyridinyl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine;dihydrochloride
CID 154886969

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine (CID 70712491) is N-[(3-ethylimidazol-4-yl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine is CCn1cncc1CNc1ncc(S(C)(=O)=O)c(C2CCCNC2)n1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine?
The InChIKey is LPTQWECYJOHOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-3-22-11-18-8-13(22)9-19-16-20-10-14(25(2,23)24)15(21-16)12-5-4-6-17-7-12/h8,10-12,17H,3-7,9H2,1-2H3,(H,19,20,21).
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine?
N-[(3-ethylimidazol-4-yl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine has a molecular weight of 364.48 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 70712491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).