[4-amino-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone

C19H25N5O4S — CID 10251513

IUPAC[4-amino-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone
SMILESCCS(=O)(=O)N1CCC(Nc2ncc(C(=O)c3ccccc3OC)c(N)n2)CC1
InChIInChI=1S/C19H25N5O4S/c1-3-29(26,27)24-10-8-13(9-11-24)22-19-21-12-15(18(20)23-19)17(25)14-6-4-5-7-16(14)28-2/h4-7,12-13H,3,8-11H2,1-2H3,(H3,20,21,22,23)
InChIKeyCLKJPEPFYDJWOV-UHFFFAOYSA-N
MW419.51 g/mol
LogP1.52
Rot. Bonds7

About [4-amino-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone

[4-amino-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone (PubChem CID 10251513) has the molecular formula C19H25N5O4S and a molecular weight of 419.51 g/mol. Its IUPAC name is [4-amino-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone
PubChem CID10251513
Molecular FormulaC19H25N5O4S
Molecular Weight419.51 g/mol
Exact Mass419.16
IUPAC Name[4-amino-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone
SMILESCCS(=O)(=O)N1CCC(Nc2ncc(C(=O)c3ccccc3OC)c(N)n2)CC1
InChIInChI=1S/C19H25N5O4S/c1-3-29(26,27)24-10-8-13(9-11-24)22-19-21-12-15(18(20)23-19)17(25)14-6-4-5-7-16(14)28-2/h4-7,12-13H,3,8-11H2,1-2H3,(H3,20,21,22,23)
InChIKeyCLKJPEPFYDJWOV-UHFFFAOYSA-N
XLogP1.52
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone
CID 6918852
[4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3,4-trifluoro-6-methoxyphenyl)methanone
CID 10479319
4-[4-Amino-5-(2-methoxybenzoyl)pyrimidin-2-ylamino]piperidine-1-carboxylic Acid Ethyl Ester
CID 9843864
[4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](5-fluoro-2-methoxyphenyl)methanone
CID 9979700
1-[4-[4-Amino-5-(2-methoxybenzoyl)pyrimidin-2-ylamino]-piperidin-1-yl]ethanone
CID 9999155
4-({4-amino-5-[(2-methoxyphenyl)carbonyl]pyrimidin-2-yl}amino)-N-ethylpiperidine-1-carboxamide
CID 10023782
1-[4-({4-Amino-5-[(2-methoxyphenyl)carbonyl]pyrimidin-2-yl}amino)piperidin-1-yl]butan-1-one
CID 10069391
[4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2-methoxyphenyl)methanone
CID 10319097
[4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](3,4,5-trifluoro-2-methoxyphenyl)methanone
CID 10434333
[4-Amino-2-(piperidin-4-ylamino)pyrimidin-5-yl](2-methoxyphenyl)methanone
CID 10449125
[4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2-fluoro-6-methoxyphenyl)methanone
CID 11743030
[4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](4-fluoro-2-methoxyphenyl)methanone
CID 11975073

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-amino-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone (CID 10251513) is [4-amino-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-amino-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-amino-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone is CCS(=O)(=O)N1CCC(Nc2ncc(C(=O)c3ccccc3OC)c(N)n2)CC1.
What is the InChIKey of [4-amino-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone?
The InChIKey is CLKJPEPFYDJWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4S/c1-3-29(26,27)24-10-8-13(9-11-24)22-19-21-12-15(18(20)23-19)17(25)14-6-4-5-7-16(14)28-2/h4-7,12-13H,3,8-11H2,1-2H3,(H3,20,21,22,23).
What are the key properties of [4-amino-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone?
[4-amino-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone has a molecular weight of 419.51 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 10251513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).