(2-anilinopyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

C16H19N5O3S — CID 74240836

IUPAC(2-anilinopyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cnc(Nc3ccccc3)nc2)CC1
InChIInChI=1S/C16H19N5O3S/c1-25(23,24)21-9-7-20(8-10-21)15(22)13-11-17-16(18-12-13)19-14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H,17,18,19)
InChIKeyDMNYEIKFPRFRMR-UHFFFAOYSA-N
MW361.43 g/mol
LogP0.94
Rot. Bonds4

About (2-anilinopyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

(2-anilinopyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 74240836) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is (2-anilinopyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-anilinopyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID74240836
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC Name(2-anilinopyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cnc(Nc3ccccc3)nc2)CC1
InChIInChI=1S/C16H19N5O3S/c1-25(23,24)21-9-7-20(8-10-21)15(22)13-11-17-16(18-12-13)19-14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H,17,18,19)
InChIKeyDMNYEIKFPRFRMR-UHFFFAOYSA-N
XLogP0.94
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-anilinopyrimidin-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 74232162
(2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 74233329
(2-anilinopyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56740872
5-(4-methylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 60725146
(2-anilinopyrimidin-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 72914559
1-[4-[2-(4-methylanilino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254658
(2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone
CID 72902882
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261137
(4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 24517801
1-[4-[2-(3-chloroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254682
(2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 72886454
(9aR)-2-(2-anilinopyrimidine-5-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95132496

Frequently Asked Questions

What is the IUPAC name of (2-anilinopyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2-anilinopyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 74240836) is (2-anilinopyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-anilinopyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2-anilinopyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCN(C(=O)c2cnc(Nc3ccccc3)nc2)CC1.
What is the InChIKey of (2-anilinopyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is DMNYEIKFPRFRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-25(23,24)21-9-7-20(8-10-21)15(22)13-11-17-16(18-12-13)19-14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H,17,18,19).
What are the key properties of (2-anilinopyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(2-anilinopyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 361.43 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinopyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 74240836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).