4-(9-ethyl-2-methyl-6-morpholin-4-ylpurin-8-yl)-1-methylpiperazin-2-one

C17H25N7O2 — CID 168920876

IUPAC4-(9-ethyl-2-methyl-6-morpholin-4-ylpurin-8-yl)-1-methylpiperazin-2-one
SMILESCCn1c(N2CCN(C)C(=O)C2)nc2c(N3CCOCC3)nc(C)nc21
InChIInChI=1S/C17H25N7O2/c1-4-24-16-14(20-17(24)23-6-5-21(3)13(25)11-23)15(18-12(2)19-16)22-7-9-26-10-8-22/h4-11H2,1-3H3
InChIKeyNLOKHLBVQHGWDL-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.27
Rot. Bonds3

About 4-(9-ethyl-2-methyl-6-morpholin-4-ylpurin-8-yl)-1-methylpiperazin-2-one

4-(9-ethyl-2-methyl-6-morpholin-4-ylpurin-8-yl)-1-methylpiperazin-2-one (PubChem CID 168920876) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(9-ethyl-2-methyl-6-morpholin-4-ylpurin-8-yl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(9-ethyl-2-methyl-6-morpholin-4-ylpurin-8-yl)-1-methylpiperazin-2-one
PubChem CID168920876
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC Name4-(9-ethyl-2-methyl-6-morpholin-4-ylpurin-8-yl)-1-methylpiperazin-2-one
SMILESCCn1c(N2CCN(C)C(=O)C2)nc2c(N3CCOCC3)nc(C)nc21
InChIInChI=1S/C17H25N7O2/c1-4-24-16-14(20-17(24)23-6-5-21(3)13(25)11-23)15(18-12(2)19-16)22-7-9-26-10-8-22/h4-11H2,1-3H3
InChIKeyNLOKHLBVQHGWDL-UHFFFAOYSA-N
XLogP0.27
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)morpholine
CID 168921312
4-(9-ethyl-2-methylpurin-6-yl)morpholine
CID 168920801
4-[9-ethyl-2-(3-methoxy-4-phenylpyrazol-1-yl)-6-[4-(oxan-2-yloxy)piperidin-1-yl]purin-8-yl]-1-methylpiperazin-2-one
CID 168920796
(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methanol
CID 58439142
9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid
CID 168920808
4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 80844651
4-[(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methyl]-6,6-dimethylpiperazin-2-one
CID 58439193
4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine
CID 134511412
4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine
CID 59806507
8-(1-aminoethyl)-6-chloro-3-ethyl-2-morpholin-4-ylquinazolin-4-one
CID 170753730
4-[2-chloro-8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-9-ethylpurin-6-yl]morpholine
CID 58439201
(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 122597664

Frequently Asked Questions

What is the IUPAC name of 4-(9-ethyl-2-methyl-6-morpholin-4-ylpurin-8-yl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(9-ethyl-2-methyl-6-morpholin-4-ylpurin-8-yl)-1-methylpiperazin-2-one (CID 168920876) is 4-(9-ethyl-2-methyl-6-morpholin-4-ylpurin-8-yl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(9-ethyl-2-methyl-6-morpholin-4-ylpurin-8-yl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(9-ethyl-2-methyl-6-morpholin-4-ylpurin-8-yl)-1-methylpiperazin-2-one is CCn1c(N2CCN(C)C(=O)C2)nc2c(N3CCOCC3)nc(C)nc21.
What is the InChIKey of 4-(9-ethyl-2-methyl-6-morpholin-4-ylpurin-8-yl)-1-methylpiperazin-2-one?
The InChIKey is NLOKHLBVQHGWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-4-24-16-14(20-17(24)23-6-5-21(3)13(25)11-23)15(18-12(2)19-16)22-7-9-26-10-8-22/h4-11H2,1-3H3.
What are the key properties of 4-(9-ethyl-2-methyl-6-morpholin-4-ylpurin-8-yl)-1-methylpiperazin-2-one?
4-(9-ethyl-2-methyl-6-morpholin-4-ylpurin-8-yl)-1-methylpiperazin-2-one has a molecular weight of 359.43 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-ethyl-2-methyl-6-morpholin-4-ylpurin-8-yl)-1-methylpiperazin-2-one is sourced from PubChem (CID 168920876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).