1-[4-amino-3-[[4-(2-fluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone

C19H22FN5O3 — CID 21070503

IUPAC1-[4-amino-3-[[4-(2-fluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
SMILESCOc1cccc(F)c1C(=O)c1ccnc(NC2CN(C(C)=O)CCC2N)n1
InChIInChI=1S/C19H22FN5O3/c1-11(26)25-9-7-13(21)15(10-25)24-19-22-8-6-14(23-19)18(27)17-12(20)4-3-5-16(17)28-2/h3-6,8,13,15H,7,9-10,21H2,1-2H3,(H,22,23,24)
InChIKeyRLMQHXUHNBPNRX-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.22
Rot. Bonds5

About 1-[4-amino-3-[[4-(2-fluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone

1-[4-amino-3-[[4-(2-fluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone (PubChem CID 21070503) has the molecular formula C19H22FN5O3 and a molecular weight of 387.42 g/mol. Its IUPAC name is 1-[4-amino-3-[[4-(2-fluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-amino-3-[[4-(2-fluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
PubChem CID21070503
Molecular FormulaC19H22FN5O3
Molecular Weight387.42 g/mol
Exact Mass387.17
IUPAC Name1-[4-amino-3-[[4-(2-fluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
SMILESCOc1cccc(F)c1C(=O)c1ccnc(NC2CN(C(C)=O)CCC2N)n1
InChIInChI=1S/C19H22FN5O3/c1-11(26)25-9-7-13(21)15(10-25)24-19-22-8-6-14(23-19)18(27)17-12(20)4-3-5-16(17)28-2/h3-6,8,13,15H,7,9-10,21H2,1-2H3,(H,22,23,24)
InChIKeyRLMQHXUHNBPNRX-UHFFFAOYSA-N
XLogP1.22
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-amino-3-[[4-(2-fluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

p-(18F)MPPF
CID 5352127
N-{2-[(2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-5-fluorophenyl}-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide
CID 139446226
4-[4-Amino-5-(2-methoxybenzoyl)pyrimidin-2-ylamino]piperidine-1-carboxylic Acid Ethyl Ester
CID 9843864
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-(piperidin-4-ylamino)pyrimidin-5-yl](2-methoxyphenyl)methanone
CID 10449125
[4-Amino-2-[4-(4-methylpiperazin-1-yl)phenylamino]pyrimidin-5-yl](2-methoxyphenyl)methanone
CID 11975203
1-[4-[4-Amino-5-(2-ethoxybenzoyl)pyrimidin-2-ylamino]piperidin-1-yl]ethanone
CID 11975205
Aminopyrimidine amide, 17
CID 24823589
Gsk-1059865
CID 44463491
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-[[4-(2-fluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-amino-3-[[4-(2-fluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone (CID 21070503) is 1-[4-amino-3-[[4-(2-fluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-amino-3-[[4-(2-fluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-amino-3-[[4-(2-fluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone is COc1cccc(F)c1C(=O)c1ccnc(NC2CN(C(C)=O)CCC2N)n1.
What is the InChIKey of 1-[4-amino-3-[[4-(2-fluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is RLMQHXUHNBPNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O3/c1-11(26)25-9-7-13(21)15(10-25)24-19-22-8-6-14(23-19)18(27)17-12(20)4-3-5-16(17)28-2/h3-6,8,13,15H,7,9-10,21H2,1-2H3,(H,22,23,24).
What are the key properties of 1-[4-amino-3-[[4-(2-fluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
1-[4-amino-3-[[4-(2-fluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 387.42 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-3-[[4-(2-fluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 21070503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).