4-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol;dihydrochloride

C15H24Cl2N6O2 — CID 77366835

IUPAC4-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol;dihydrochloride
SMILESCl.Cl.Nc1nc(NCC2CC2)c2ncn(C3CC(O)C(CO)C3)c2n1
InChIInChI=1S/C15H22N6O2.2ClH/c16-15-19-13(17-5-8-1-2-8)12-14(20-15)21(7-18-12)10-3-9(6-22)11(23)4-10;;/h7-11,22-23H,1-6H2,(H3,16,17,19,20);2*1H
InChIKeyFUMQRCHXJDQMFG-UHFFFAOYSA-N
MW391.30 g/mol
LogP1.38
Rot. Bonds5

About 4-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol;dihydrochloride

4-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol;dihydrochloride (PubChem CID 77366835) has the molecular formula C15H24Cl2N6O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is 4-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol;dihydrochloride.

Molecular Properties

Compound Name4-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol;dihydrochloride
PubChem CID77366835
Molecular FormulaC15H24Cl2N6O2
Molecular Weight391.30 g/mol
Exact Mass390.13
IUPAC Name4-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol;dihydrochloride
SMILESCl.Cl.Nc1nc(NCC2CC2)c2ncn(C3CC(O)C(CO)C3)c2n1
InChIInChI=1S/C15H22N6O2.2ClH/c16-15-19-13(17-5-8-1-2-8)12-14(20-15)21(7-18-12)10-3-9(6-22)11(23)4-10;;/h7-11,22-23H,1-6H2,(H3,16,17,19,20);2*1H
InChIKeyFUMQRCHXJDQMFG-UHFFFAOYSA-N
XLogP1.38
TPSA122.11 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol;dihydrochloride with MolForge

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Related Compounds

(4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol
CID 54532575
(2R,3R,4S,5R)-2-[2-amino-6-(cyclohexylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 10738426
[(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol
CID 156801983
2-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-cyclopropylideneethanol
CID 68808385
(1S,2R,4R)-4-(2-amino-6-prop-2-enylsulfanylpurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol
CID 57083073
(1R,2S,3R,5R)-3-[2-amino-6-(methoxyamino)purin-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 10924939
trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol
CID 73050804
2-[[2-amino-9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]purin-6-yl]amino]ethane-1,1-diol
CID 156545360
[3-(2-amino-6-methylsulfanylpurin-9-yl)cyclobutyl]methanol
CID 150364719
(1S,2R,3R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(hydroxymethyl)-1-methylcyclopentane-1,2-diol
CID 102392372
[(2R,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-6-oxabicyclo[3.1.0]hexan-2-yl]methanol
CID 170455114
(4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol
CID 87802918

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol;dihydrochloride?
The IUPAC name of 4-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol;dihydrochloride (CID 77366835) is 4-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol;dihydrochloride.
What is the SMILES notation for 4-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol;dihydrochloride?
The canonical SMILES for 4-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol;dihydrochloride is Cl.Cl.Nc1nc(NCC2CC2)c2ncn(C3CC(O)C(CO)C3)c2n1.
What is the InChIKey of 4-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol;dihydrochloride?
The InChIKey is FUMQRCHXJDQMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2.2ClH/c16-15-19-13(17-5-8-1-2-8)12-14(20-15)21(7-18-12)10-3-9(6-22)11(23)4-10;;/h7-11,22-23H,1-6H2,(H3,16,17,19,20);2*1H.
What are the key properties of 4-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol;dihydrochloride?
4-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol;dihydrochloride has a molecular weight of 391.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol;dihydrochloride is sourced from PubChem (CID 77366835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).