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

C13H18N6O3S — CID 126888026

IUPACN-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCN(S(=O)(=O)c3cnc[nH]3)CC2)ncn1
InChIInChI=1S/C13H18N6O3S/c1-22-12-6-11(15-9-16-12)18-10-2-4-19(5-3-10)23(20,21)13-7-14-8-17-13/h6-10H,2-5H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyTVXRYWYXWLGJQV-UHFFFAOYSA-N
MW338.39 g/mol
LogP0.47
Rot. Bonds5

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

N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine (PubChem CID 126888026) has the molecular formula C13H18N6O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
PubChem CID126888026
Molecular FormulaC13H18N6O3S
Molecular Weight338.39 g/mol
Exact Mass338.12
IUPAC NameN-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCN(S(=O)(=O)c3cnc[nH]3)CC2)ncn1
InChIInChI=1S/C13H18N6O3S/c1-22-12-6-11(15-9-16-12)18-10-2-4-19(5-3-10)23(20,21)13-7-14-8-17-13/h6-10H,2-5H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyTVXRYWYXWLGJQV-UHFFFAOYSA-N
XLogP0.47
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887603
N-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 171336312
6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 66319414
N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine
CID 66319421
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
3-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one
CID 126888237
4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine
CID 66318521
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888037
6-ethoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
CID 133490993
6-methoxy-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888329
[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126887972
N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine
CID 165432113

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine (CID 126888026) is N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine is COc1cc(NC2CCN(S(=O)(=O)c3cnc[nH]3)CC2)ncn1.
What is the InChIKey of N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The InChIKey is TVXRYWYXWLGJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O3S/c1-22-12-6-11(15-9-16-12)18-10-2-4-19(5-3-10)23(20,21)13-7-14-8-17-13/h6-10H,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-methoxypyrimidin-4-amine?
N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine has a molecular weight of 338.39 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 126888026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).