5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one

C17H26N6O2 — CID 70755456

IUPAC5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one
SMILESCCN1CC(C(=O)N2CCN(c3cc(C)nc(N)n3)CC2)CCC1=O
InChIInChI=1S/C17H26N6O2/c1-3-21-11-13(4-5-15(21)24)16(25)23-8-6-22(7-9-23)14-10-12(2)19-17(18)20-14/h10,13H,3-9,11H2,1-2H3,(H2,18,19,20)
InChIKeyYMDAMDWLDKDXKN-UHFFFAOYSA-N
MW346.44 g/mol
LogP0.27
Rot. Bonds3

About 5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one

5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one (PubChem CID 70755456) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one.

Molecular Properties

Compound Name5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one
PubChem CID70755456
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one
SMILESCCN1CC(C(=O)N2CCN(c3cc(C)nc(N)n3)CC2)CCC1=O
InChIInChI=1S/C17H26N6O2/c1-3-21-11-13(4-5-15(21)24)16(25)23-8-6-22(7-9-23)14-10-12(2)19-17(18)20-14/h10,13H,3-9,11H2,1-2H3,(H2,18,19,20)
InChIKeyYMDAMDWLDKDXKN-UHFFFAOYSA-N
XLogP0.27
TPSA95.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 97112972
1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone
CID 51106955
5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one
CID 45192162
[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 72930514
4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclohexan-1-one
CID 122333101
(5R)-1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one
CID 97136809
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403
(5S)-5-[3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97109983
N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide
CID 166367740
cyclopentyl-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50944669
1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
ethyl 4-[(3S)-1-[(4-chlorophenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazine-1-carboxylate
CID 42394382

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one?
The IUPAC name of 5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one (CID 70755456) is 5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one.
What is the SMILES notation for 5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one?
The canonical SMILES for 5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one is CCN1CC(C(=O)N2CCN(c3cc(C)nc(N)n3)CC2)CCC1=O.
What is the InChIKey of 5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one?
The InChIKey is YMDAMDWLDKDXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-3-21-11-13(4-5-15(21)24)16(25)23-8-6-22(7-9-23)14-10-12(2)19-17(18)20-14/h10,13H,3-9,11H2,1-2H3,(H2,18,19,20).
What are the key properties of 5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one?
5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one has a molecular weight of 346.44 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one is sourced from PubChem (CID 70755456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).