4-(4-methoxyphenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]pyrimidine

C16H21N5O3S — CID 167966554

IUPAC4-(4-methoxyphenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]pyrimidine
SMILESCOc1ccc(-c2cc(N3CCC(NS(N)(=O)=O)CC3)ncn2)cc1
InChIInChI=1S/C16H21N5O3S/c1-24-14-4-2-12(3-5-14)15-10-16(19-11-18-15)21-8-6-13(7-9-21)20-25(17,22)23/h2-5,10-11,13,20H,6-9H2,1H3,(H2,17,22,23)
InChIKeyXRHKMRFJNWEMPJ-UHFFFAOYSA-N
MW363.44 g/mol
LogP0.91
Rot. Bonds5

About 4-(4-methoxyphenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]pyrimidine

4-(4-methoxyphenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]pyrimidine (PubChem CID 167966554) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]pyrimidine
PubChem CID167966554
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name4-(4-methoxyphenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]pyrimidine
SMILESCOc1ccc(-c2cc(N3CCC(NS(N)(=O)=O)CC3)ncn2)cc1
InChIInChI=1S/C16H21N5O3S/c1-24-14-4-2-12(3-5-14)15-10-16(19-11-18-15)21-8-6-13(7-9-21)20-25(17,22)23/h2-5,10-11,13,20H,6-9H2,1H3,(H2,17,22,23)
InChIKeyXRHKMRFJNWEMPJ-UHFFFAOYSA-N
XLogP0.91
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 90519423
4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 90517128
ethyl 4-[[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]benzoate
CID 90519480
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 53061970
6,7-dimethoxy-2-[4-(sulfamoylamino)piperidin-1-yl]quinoxaline
CID 167288482
4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine
CID 90517144
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 90519570
4-phenyl-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
CID 134145904
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-methyl-N-phenylpiperidine-4-carboxamide
CID 90519567
N-cyclopropyl-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519842
[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 90519445
4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine
CID 90517170

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-(4-methoxyphenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]pyrimidine (CID 167966554) is 4-(4-methoxyphenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-(4-methoxyphenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]pyrimidine is COc1ccc(-c2cc(N3CCC(NS(N)(=O)=O)CC3)ncn2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]pyrimidine?
The InChIKey is XRHKMRFJNWEMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-24-14-4-2-12(3-5-14)15-10-16(19-11-18-15)21-8-6-13(7-9-21)20-25(17,22)23/h2-5,10-11,13,20H,6-9H2,1H3,(H2,17,22,23).
What are the key properties of 4-(4-methoxyphenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]pyrimidine?
4-(4-methoxyphenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]pyrimidine has a molecular weight of 363.44 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 167966554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).