N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methylpyrimidin-4-amine

C13H18N6O2S — CID 126887603

IUPACN-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(S(=O)(=O)c3cnc[nH]3)CC2)ncn1
InChIInChI=1S/C13H18N6O2S/c1-10-6-12(16-9-15-10)18-11-2-4-19(5-3-11)22(20,21)13-7-14-8-17-13/h6-9,11H,2-5H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyJNTIYXCNWJXCFJ-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.77
Rot. Bonds4

About N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methylpyrimidin-4-amine

N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methylpyrimidin-4-amine (PubChem CID 126887603) has the molecular formula C13H18N6O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
PubChem CID126887603
Molecular FormulaC13H18N6O2S
Molecular Weight322.39 g/mol
Exact Mass322.12
IUPAC NameN-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(S(=O)(=O)c3cnc[nH]3)CC2)ncn1
InChIInChI=1S/C13H18N6O2S/c1-10-6-12(16-9-15-10)18-11-2-4-19(5-3-11)22(20,21)13-7-14-8-17-13/h6-9,11H,2-5H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyJNTIYXCNWJXCFJ-UHFFFAOYSA-N
XLogP0.77
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888026
1H-imidazol-5-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887552
6-methyl-N-[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887672
N-[4-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 171336337
N-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-6-methylpyrimidin-4-amine
CID 171336303
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone
CID 126887514
[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 119963875
6-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887665
3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 126887844
N-ethyl-2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 122346272
6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 165432269

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methylpyrimidin-4-amine (CID 126887603) is N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methylpyrimidin-4-amine is Cc1cc(NC2CCN(S(=O)(=O)c3cnc[nH]3)CC2)ncn1.
What is the InChIKey of N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
The InChIKey is JNTIYXCNWJXCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2S/c1-10-6-12(16-9-15-10)18-11-2-4-19(5-3-11)22(20,21)13-7-14-8-17-13/h6-9,11H,2-5H2,1H3,(H,14,17)(H,15,16,18).
What are the key properties of N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methylpyrimidin-4-amine has a molecular weight of 322.39 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 126887603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).