6-amino-8-cyclopropyl-3-ethyl-6-(ethylamino)-1,7-dihydropurin-2-one

C12H20N6O — CID 18700287

IUPAC6-amino-8-cyclopropyl-3-ethyl-6-(ethylamino)-1,7-dihydropurin-2-one
SMILESCCNC1(N)NC(=O)N(CC)c2nc(C3CC3)[nH]c21
InChIInChI=1S/C12H20N6O/c1-3-14-12(13)8-10(18(4-2)11(19)17-12)16-9(15-8)7-5-6-7/h7,14H,3-6,13H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyGCOCVUGYXCIRFQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.52
Rot. Bonds4

About 6-amino-8-cyclopropyl-3-ethyl-6-(ethylamino)-1,7-dihydropurin-2-one

6-amino-8-cyclopropyl-3-ethyl-6-(ethylamino)-1,7-dihydropurin-2-one (PubChem CID 18700287) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-amino-8-cyclopropyl-3-ethyl-6-(ethylamino)-1,7-dihydropurin-2-one.

Molecular Properties

Compound Name6-amino-8-cyclopropyl-3-ethyl-6-(ethylamino)-1,7-dihydropurin-2-one
PubChem CID18700287
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name6-amino-8-cyclopropyl-3-ethyl-6-(ethylamino)-1,7-dihydropurin-2-one
SMILESCCNC1(N)NC(=O)N(CC)c2nc(C3CC3)[nH]c21
InChIInChI=1S/C12H20N6O/c1-3-14-12(13)8-10(18(4-2)11(19)17-12)16-9(15-8)7-5-6-7/h7,14H,3-6,13H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyGCOCVUGYXCIRFQ-UHFFFAOYSA-N
XLogP0.52
TPSA99.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-8-cyclopropyl-3-ethyl-6-(ethylamino)-1,7-dihydropurin-2-one?
The IUPAC name of 6-amino-8-cyclopropyl-3-ethyl-6-(ethylamino)-1,7-dihydropurin-2-one (CID 18700287) is 6-amino-8-cyclopropyl-3-ethyl-6-(ethylamino)-1,7-dihydropurin-2-one.
What is the SMILES notation for 6-amino-8-cyclopropyl-3-ethyl-6-(ethylamino)-1,7-dihydropurin-2-one?
The canonical SMILES for 6-amino-8-cyclopropyl-3-ethyl-6-(ethylamino)-1,7-dihydropurin-2-one is CCNC1(N)NC(=O)N(CC)c2nc(C3CC3)[nH]c21.
What is the InChIKey of 6-amino-8-cyclopropyl-3-ethyl-6-(ethylamino)-1,7-dihydropurin-2-one?
The InChIKey is GCOCVUGYXCIRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-3-14-12(13)8-10(18(4-2)11(19)17-12)16-9(15-8)7-5-6-7/h7,14H,3-6,13H2,1-2H3,(H,15,16)(H,17,19).
What are the key properties of 6-amino-8-cyclopropyl-3-ethyl-6-(ethylamino)-1,7-dihydropurin-2-one?
6-amino-8-cyclopropyl-3-ethyl-6-(ethylamino)-1,7-dihydropurin-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.52, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-cyclopropyl-3-ethyl-6-(ethylamino)-1,7-dihydropurin-2-one is sourced from PubChem (CID 18700287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).