6-methyl-N-[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine

C13H17N5O3S — CID 126887672

IUPAC6-methyl-N-[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(S(=O)(=O)c3cnoc3)CC2)ncn1
InChIInChI=1S/C13H17N5O3S/c1-10-6-13(15-9-14-10)17-11-2-4-18(5-3-11)22(19,20)12-7-16-21-8-12/h6-9,11H,2-5H2,1H3,(H,14,15,17)
InChIKeyQVQGPRJKADFVCA-UHFFFAOYSA-N
MW323.38 g/mol
LogP1.04
Rot. Bonds4

About 6-methyl-N-[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine

6-methyl-N-[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887672) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is 6-methyl-N-[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887672
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC Name6-methyl-N-[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(S(=O)(=O)c3cnoc3)CC2)ncn1
InChIInChI=1S/C13H17N5O3S/c1-10-6-13(15-9-14-10)17-11-2-4-18(5-3-11)22(19,20)12-7-16-21-8-12/h6-9,11H,2-5H2,1H3,(H,14,15,17)
InChIKeyQVQGPRJKADFVCA-UHFFFAOYSA-N
XLogP1.04
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 171336337
N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887603
N-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-6-methylpyrimidin-4-amine
CID 171336303
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
6-N-[1-(benzenesulfonyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171689746
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone
CID 126887514
6-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887665
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889655
6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 165432269
N-(6-methylpyrimidin-4-yl)-6-pyridin-3-ylsulfonyl-6-azaspiro[3.4]octan-2-amine
CID 155901000
N-[1-(cyclobutylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887813
N-ethyl-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
CID 122346293

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine (CID 126887672) is 6-methyl-N-[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine is Cc1cc(NC2CCN(S(=O)(=O)c3cnoc3)CC2)ncn1.
What is the InChIKey of 6-methyl-N-[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is QVQGPRJKADFVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-10-6-13(15-9-14-10)17-11-2-4-18(5-3-11)22(19,20)12-7-16-21-8-12/h6-9,11H,2-5H2,1H3,(H,14,15,17).
What are the key properties of 6-methyl-N-[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine?
6-methyl-N-[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 323.38 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).