1-[4-[[4-amino-5-(2-ethoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone

C20H25N5O3 — CID 11975205

IUPAC1-[4-[[4-amino-5-(2-ethoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
SMILESCCOc1ccccc1C(=O)c1cnc(NC2CCN(C(C)=O)CC2)nc1N
InChIInChI=1S/C20H25N5O3/c1-3-28-17-7-5-4-6-15(17)18(27)16-12-22-20(24-19(16)21)23-14-8-10-25(11-9-14)13(2)26/h4-7,12,14H,3,8-11H2,1-2H3,(H3,21,22,23,24)
InChIKeyOBDPIVSOXGXWQB-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.11
Rot. Bonds6

About 1-[4-[[4-amino-5-(2-ethoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone

1-[4-[[4-amino-5-(2-ethoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone (PubChem CID 11975205) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-[4-[[4-amino-5-(2-ethoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-amino-5-(2-ethoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
PubChem CID11975205
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name1-[4-[[4-amino-5-(2-ethoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
SMILESCCOc1ccccc1C(=O)c1cnc(NC2CCN(C(C)=O)CC2)nc1N
InChIInChI=1S/C20H25N5O3/c1-3-28-17-7-5-4-6-15(17)18(27)16-12-22-20(24-19(16)21)23-14-8-10-25(11-9-14)13(2)26/h4-7,12,14H,3,8-11H2,1-2H3,(H3,21,22,23,24)
InChIKeyOBDPIVSOXGXWQB-UHFFFAOYSA-N
XLogP2.11
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[4-amino-5-(2-ethoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone with MolForge

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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
2-cyano-4-(cyclohexylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 16108901
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-(2-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}ethyl)pyrimidine-5-carboxamide
CID 16108905
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-ethanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2-methoxyphenyl)methanone
CID 10251513
[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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-amino-5-(2-ethoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[4-amino-5-(2-ethoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone (CID 11975205) is 1-[4-[[4-amino-5-(2-ethoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-amino-5-(2-ethoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[4-amino-5-(2-ethoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone is CCOc1ccccc1C(=O)c1cnc(NC2CCN(C(C)=O)CC2)nc1N.
What is the InChIKey of 1-[4-[[4-amino-5-(2-ethoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is OBDPIVSOXGXWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-3-28-17-7-5-4-6-15(17)18(27)16-12-22-20(24-19(16)21)23-14-8-10-25(11-9-14)13(2)26/h4-7,12,14H,3,8-11H2,1-2H3,(H3,21,22,23,24).
What are the key properties of 1-[4-[[4-amino-5-(2-ethoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[4-amino-5-(2-ethoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 383.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-amino-5-(2-ethoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 11975205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).