6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one

C15H26N6O — CID 18700289

IUPAC6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one
SMILESCCCNC1(N)NC(=O)N(CC2CC2)c2nc(C(C)C)[nH]c21
InChIInChI=1S/C15H26N6O/c1-4-7-17-15(16)11-13(19-12(18-11)9(2)3)21(14(22)20-15)8-10-5-6-10/h9-10,17H,4-8,16H2,1-3H3,(H,18,19)(H,20,22)
InChIKeyRXNLSLRCNFTLAO-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.54
Rot. Bonds6

About 6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one

6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one (PubChem CID 18700289) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one.

Molecular Properties

Compound Name6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one
PubChem CID18700289
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC Name6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one
SMILESCCCNC1(N)NC(=O)N(CC2CC2)c2nc(C(C)C)[nH]c21
InChIInChI=1S/C15H26N6O/c1-4-7-17-15(16)11-13(19-12(18-11)9(2)3)21(14(22)20-15)8-10-5-6-10/h9-10,17H,4-8,16H2,1-3H3,(H,18,19)(H,20,22)
InChIKeyRXNLSLRCNFTLAO-UHFFFAOYSA-N
XLogP1.54
TPSA99.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.54
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-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one?
The IUPAC name of 6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one (CID 18700289) is 6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one.
What is the SMILES notation for 6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one?
The canonical SMILES for 6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one is CCCNC1(N)NC(=O)N(CC2CC2)c2nc(C(C)C)[nH]c21.
What is the InChIKey of 6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one?
The InChIKey is RXNLSLRCNFTLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O/c1-4-7-17-15(16)11-13(19-12(18-11)9(2)3)21(14(22)20-15)8-10-5-6-10/h9-10,17H,4-8,16H2,1-3H3,(H,18,19)(H,20,22).
What are the key properties of 6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one?
6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one has a molecular weight of 306.41 g/mol, XLogP of 1.54, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one is sourced from PubChem (CID 18700289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).