1-(2-aminoethyl)-9-propan-2-ylpurin-6-one

C10H15N5O — CID 159332651

IUPAC1-(2-aminoethyl)-9-propan-2-ylpurin-6-one
SMILESCC(C)n1cnc2c(=O)n(CCN)cnc21
InChIInChI=1S/C10H15N5O/c1-7(2)15-6-12-8-9(15)13-5-14(4-3-11)10(8)16/h5-7H,3-4,11H2,1-2H3
InChIKeyLFDLSUQCMOFUAI-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.13
Rot. Bonds3

About 1-(2-aminoethyl)-9-propan-2-ylpurin-6-one

1-(2-aminoethyl)-9-propan-2-ylpurin-6-one (PubChem CID 159332651) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(2-aminoethyl)-9-propan-2-ylpurin-6-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-9-propan-2-ylpurin-6-one
PubChem CID159332651
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name1-(2-aminoethyl)-9-propan-2-ylpurin-6-one
SMILESCC(C)n1cnc2c(=O)n(CCN)cnc21
InChIInChI=1S/C10H15N5O/c1-7(2)15-6-12-8-9(15)13-5-14(4-3-11)10(8)16/h5-7H,3-4,11H2,1-2H3
InChIKeyLFDLSUQCMOFUAI-UHFFFAOYSA-N
XLogP0.13
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-hydrazinylethyl)-9-propan-2-ylpurin-6-one
CID 163651118
7-(2-aminoethyl)-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 2965224
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
ethane;9-propan-2-yl-1H-purin-6-one
CID 162724389
1-(2-aminoethyl)-5-propylpyrazolo[5,4-d]pyrimidin-4-one
CID 97036259
7-(aminomethyl)-1,3-dimethylpurine-2,6-dione
CID 22105142
7-(1-aminopropan-2-yl)-1-methyl-3-propan-2-ylpurine-2,6-dione
CID 82465688
2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride
CID 75531085
2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride
CID 162422020
2-amino-1-(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)propan-1-ol
CID 84697742
3-(2-aminoethyl)-7-methylquinazolin-4-one
CID 117264406
5-(2-aminoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;hydrochloride
CID 75366014

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-9-propan-2-ylpurin-6-one?
The IUPAC name of 1-(2-aminoethyl)-9-propan-2-ylpurin-6-one (CID 159332651) is 1-(2-aminoethyl)-9-propan-2-ylpurin-6-one.
What is the SMILES notation for 1-(2-aminoethyl)-9-propan-2-ylpurin-6-one?
The canonical SMILES for 1-(2-aminoethyl)-9-propan-2-ylpurin-6-one is CC(C)n1cnc2c(=O)n(CCN)cnc21.
What is the InChIKey of 1-(2-aminoethyl)-9-propan-2-ylpurin-6-one?
The InChIKey is LFDLSUQCMOFUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-7(2)15-6-12-8-9(15)13-5-14(4-3-11)10(8)16/h5-7H,3-4,11H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-9-propan-2-ylpurin-6-one?
1-(2-aminoethyl)-9-propan-2-ylpurin-6-one has a molecular weight of 221.26 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-9-propan-2-ylpurin-6-one is sourced from PubChem (CID 159332651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).