N-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methanesulfonamide

C13H23N5O3S — CID 50982057

IUPACN-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
SMILESCC(C)Oc1cc(N2CCC(NS(C)(=O)=O)CC2)nc(N)n1
InChIInChI=1S/C13H23N5O3S/c1-9(2)21-12-8-11(15-13(14)16-12)18-6-4-10(5-7-18)17-22(3,19)20/h8-10,17H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyIBFNMICXQLSTML-UHFFFAOYSA-N
MW329.43 g/mol
LogP0.36
Rot. Bonds5

About N-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methanesulfonamide

N-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methanesulfonamide (PubChem CID 50982057) has the molecular formula C13H23N5O3S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
PubChem CID50982057
Molecular FormulaC13H23N5O3S
Molecular Weight329.43 g/mol
Exact Mass329.15
IUPAC NameN-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
SMILESCC(C)Oc1cc(N2CCC(NS(C)(=O)=O)CC2)nc(N)n1
InChIInChI=1S/C13H23N5O3S/c1-9(2)21-12-8-11(15-13(14)16-12)18-6-4-10(5-7-18)17-22(3,19)20/h8-10,17H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyIBFNMICXQLSTML-UHFFFAOYSA-N
XLogP0.36
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-ol
CID 50968139
1-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol
CID 72839277
4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 134696150
(1S,3R)-7-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72858530
4-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-6-propan-2-yloxypyrimidin-2-amine
CID 72897316
N-[1-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]methanesulfonamide;dihydrochloride
CID 154902260
(5S)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97131242
N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide
CID 72881722
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 53377888
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 146046523
N-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide
CID 165434698
N-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methanesulfonamide
CID 118640013

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methanesulfonamide (CID 50982057) is N-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methanesulfonamide is CC(C)Oc1cc(N2CCC(NS(C)(=O)=O)CC2)nc(N)n1.
What is the InChIKey of N-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methanesulfonamide?
The InChIKey is IBFNMICXQLSTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3S/c1-9(2)21-12-8-11(15-13(14)16-12)18-6-4-10(5-7-18)17-22(3,19)20/h8-10,17H,4-7H2,1-3H3,(H2,14,15,16).
What are the key properties of N-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methanesulfonamide?
N-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methanesulfonamide has a molecular weight of 329.43 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 50982057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).