6-[[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]amino]pyrimidine-4-carboxamide

C15H17N5O4S — CID 167819953

IUPAC6-[[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]amino]pyrimidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CC(Nc3cc(C(N)=O)ncn3)C2)cc1
InChIInChI=1S/C15H17N5O4S/c1-24-11-2-4-12(5-3-11)25(22,23)20-7-10(8-20)19-14-6-13(15(16)21)17-9-18-14/h2-6,9-10H,7-8H2,1H3,(H2,16,21)(H,17,18,19)
InChIKeyHNOYAHNRIYIJMW-UHFFFAOYSA-N
MW363.40 g/mol
LogP0.07
Rot. Bonds6

About 6-[[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]amino]pyrimidine-4-carboxamide

6-[[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]amino]pyrimidine-4-carboxamide (PubChem CID 167819953) has the molecular formula C15H17N5O4S and a molecular weight of 363.40 g/mol. Its IUPAC name is 6-[[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]amino]pyrimidine-4-carboxamide
PubChem CID167819953
Molecular FormulaC15H17N5O4S
Molecular Weight363.40 g/mol
Exact Mass363.10
IUPAC Name6-[[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]amino]pyrimidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CC(Nc3cc(C(N)=O)ncn3)C2)cc1
InChIInChI=1S/C15H17N5O4S/c1-24-11-2-4-12(5-3-11)25(22,23)20-7-10(8-20)19-14-6-13(15(16)21)17-9-18-14/h2-6,9-10H,7-8H2,1H3,(H2,16,21)(H,17,18,19)
InChIKeyHNOYAHNRIYIJMW-UHFFFAOYSA-N
XLogP0.07
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine
CID 71908152
6-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
CID 26046044
ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate
CID 94638463
2-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]propanoic acid
CID 116681809
N-[(1R)-1-cyclopropylethyl]-1-(4-methoxyphenyl)sulfonylazetidin-3-amine
CID 99833771
6-tert-butyl-N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 75391356
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109341235
6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide
CID 175892409
4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2851611
(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119265572
1-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-3-(5-methylthiophen-2-yl)urea
CID 71908243
(3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine
CID 52872809

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]amino]pyrimidine-4-carboxamide?
The IUPAC name of 6-[[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]amino]pyrimidine-4-carboxamide (CID 167819953) is 6-[[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]amino]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]amino]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]amino]pyrimidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CC(Nc3cc(C(N)=O)ncn3)C2)cc1.
What is the InChIKey of 6-[[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]amino]pyrimidine-4-carboxamide?
The InChIKey is HNOYAHNRIYIJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4S/c1-24-11-2-4-12(5-3-11)25(22,23)20-7-10(8-20)19-14-6-13(15(16)21)17-9-18-14/h2-6,9-10H,7-8H2,1H3,(H2,16,21)(H,17,18,19).
What are the key properties of 6-[[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]amino]pyrimidine-4-carboxamide?
6-[[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]amino]pyrimidine-4-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 167819953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).