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

C15H27ClN6O — CID 18700288

IUPAC6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one;hydrochloride
SMILESCCCNC1(N)NC(=O)N(CC2CC2)c2nc(C(C)C)[nH]c21.Cl
InChIInChI=1S/C15H26N6O.ClH/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);1H
InChIKeyRKHZIRXXXFIWPP-UHFFFAOYSA-N
MW342.88 g/mol
LogP1.96
Rot. Bonds6

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

6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one;hydrochloride (PubChem CID 18700288) has the molecular formula C15H27ClN6O and a molecular weight of 342.88 g/mol. Its IUPAC name is 6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one;hydrochloride.

Molecular Properties

Compound Name6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one;hydrochloride
PubChem CID18700288
Molecular FormulaC15H27ClN6O
Molecular Weight342.88 g/mol
Exact Mass342.19
IUPAC Name6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one;hydrochloride
SMILESCCCNC1(N)NC(=O)N(CC2CC2)c2nc(C(C)C)[nH]c21.Cl
InChIInChI=1S/C15H26N6O.ClH/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);1H
InChIKeyRKHZIRXXXFIWPP-UHFFFAOYSA-N
XLogP1.96
TPSA99.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.88
LogP ≤ 51.96
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;hydrochloride?
The IUPAC name of 6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one;hydrochloride (CID 18700288) is 6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one;hydrochloride.
What is the SMILES notation for 6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one;hydrochloride?
The canonical SMILES for 6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one;hydrochloride is CCCNC1(N)NC(=O)N(CC2CC2)c2nc(C(C)C)[nH]c21.Cl.
What is the InChIKey of 6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one;hydrochloride?
The InChIKey is RKHZIRXXXFIWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O.ClH/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);1H.
What are the key properties of 6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one;hydrochloride?
6-amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one;hydrochloride has a molecular weight of 342.88 g/mol, XLogP of 1.96, 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;hydrochloride is sourced from PubChem (CID 18700288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).