2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]ethanone

C19H31N5O2 — CID 56871242

IUPAC2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]ethanone
SMILESCc1nc(N)nc(C)c1CC(=O)N1CC[C@@H](N2CCCCCC2)[C@H](O)C1
InChIInChI=1S/C19H31N5O2/c1-13-15(14(2)22-19(20)21-13)11-18(26)24-10-7-16(17(25)12-24)23-8-5-3-4-6-9-23/h16-17,25H,3-12H2,1-2H3,(H2,20,21,22)/t16-,17-/m1/s1
InChIKeyUIYUIUACFBKUEW-IAGOWNOFSA-N
MW361.49 g/mol
LogP1.06
Rot. Bonds3

About 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]ethanone

2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]ethanone (PubChem CID 56871242) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]ethanone
PubChem CID56871242
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]ethanone
SMILESCc1nc(N)nc(C)c1CC(=O)N1CC[C@@H](N2CCCCCC2)[C@H](O)C1
InChIInChI=1S/C19H31N5O2/c1-13-15(14(2)22-19(20)21-13)11-18(26)24-10-7-16(17(25)12-24)23-8-5-3-4-6-9-23/h16-17,25H,3-12H2,1-2H3,(H2,20,21,22)/t16-,17-/m1/s1
InChIKeyUIYUIUACFBKUEW-IAGOWNOFSA-N
XLogP1.06
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone
CID 70712573
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-(6-hydroxy-1,4-oxazepan-4-yl)ethanone
CID 70788494
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethanone
CID 95463526
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70735971
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]ethanone
CID 56877144
1-[3-[4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-2-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 110088511
5-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 102958620
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethanone
CID 56901600
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(azepan-1-yl)ethanone
CID 18108146
ethyl 1-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperidine-3-carboxylate
CID 55345323
2-[2-[(3S)-1-benzoylpyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-1-pyrrolidin-1-ylethanone
CID 125023466
(3aS,7aR)-2-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-5-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-3a-carboxylic acid
CID 86283093

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]ethanone?
The IUPAC name of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]ethanone (CID 56871242) is 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]ethanone is Cc1nc(N)nc(C)c1CC(=O)N1CC[C@@H](N2CCCCCC2)[C@H](O)C1.
What is the InChIKey of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]ethanone?
The InChIKey is UIYUIUACFBKUEW-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-13-15(14(2)22-19(20)21-13)11-18(26)24-10-7-16(17(25)12-24)23-8-5-3-4-6-9-23/h16-17,25H,3-12H2,1-2H3,(H2,20,21,22)/t16-,17-/m1/s1.
What are the key properties of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]ethanone?
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]ethanone has a molecular weight of 361.49 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 56871242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).