N-(1-benzylsulfonylpiperidin-4-yl)-5-methylpyrimidin-2-amine

C17H22N4O2S — CID 75433513

IUPACN-(1-benzylsulfonylpiperidin-4-yl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc1
InChIInChI=1S/C17H22N4O2S/c1-14-11-18-17(19-12-14)20-16-7-9-21(10-8-16)24(22,23)13-15-5-3-2-4-6-15/h2-6,11-12,16H,7-10,13H2,1H3,(H,18,19,20)
InChIKeyMFDPNPMHOIDPNF-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.19
Rot. Bonds5

About N-(1-benzylsulfonylpiperidin-4-yl)-5-methylpyrimidin-2-amine

N-(1-benzylsulfonylpiperidin-4-yl)-5-methylpyrimidin-2-amine (PubChem CID 75433513) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-(1-benzylsulfonylpiperidin-4-yl)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-benzylsulfonylpiperidin-4-yl)-5-methylpyrimidin-2-amine
PubChem CID75433513
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-(1-benzylsulfonylpiperidin-4-yl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc1
InChIInChI=1S/C17H22N4O2S/c1-14-11-18-17(19-12-14)20-16-7-9-21(10-8-16)24(22,23)13-15-5-3-2-4-6-15/h2-6,11-12,16H,7-10,13H2,1H3,(H,18,19,20)
InChIKeyMFDPNPMHOIDPNF-UHFFFAOYSA-N
XLogP2.19
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylsulfonylpiperidin-4-yl)-5-bromopyrimidin-2-amine
CID 133306530
N-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine
CID 133306595
N-(1-benzylsulfonylpiperidin-4-yl)-6-methylquinazolin-4-amine
CID 133306585
N-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133306515
N-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 133306533
1-benzylsulfonyl-N-[(3,6-dimethylpyridazin-4-yl)methyl]piperidin-4-amine
CID 167943428
N-(1-benzylsulfonylpiperidin-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133306577
N-(1-benzylsulfonylpiperidin-4-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 133306579
N-(1-ethylpiperidin-4-yl)-5-methylpyrimidin-2-amine
CID 63208182
1-(1-benzylsulfonylpiperidin-4-yl)-3-propan-2-ylurea
CID 110823299
1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714938
1-benzylsulfonyl-4-(2-bromoethoxy)piperidine
CID 82701182

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylsulfonylpiperidin-4-yl)-5-methylpyrimidin-2-amine?
The IUPAC name of N-(1-benzylsulfonylpiperidin-4-yl)-5-methylpyrimidin-2-amine (CID 75433513) is N-(1-benzylsulfonylpiperidin-4-yl)-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-(1-benzylsulfonylpiperidin-4-yl)-5-methylpyrimidin-2-amine?
The canonical SMILES for N-(1-benzylsulfonylpiperidin-4-yl)-5-methylpyrimidin-2-amine is Cc1cnc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc1.
What is the InChIKey of N-(1-benzylsulfonylpiperidin-4-yl)-5-methylpyrimidin-2-amine?
The InChIKey is MFDPNPMHOIDPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-14-11-18-17(19-12-14)20-16-7-9-21(10-8-16)24(22,23)13-15-5-3-2-4-6-15/h2-6,11-12,16H,7-10,13H2,1H3,(H,18,19,20).
What are the key properties of N-(1-benzylsulfonylpiperidin-4-yl)-5-methylpyrimidin-2-amine?
N-(1-benzylsulfonylpiperidin-4-yl)-5-methylpyrimidin-2-amine has a molecular weight of 346.46 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylsulfonylpiperidin-4-yl)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 75433513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).