(4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol

C14H20N6O2 — CID 54532575

IUPAC(4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol
SMILESNc1nc(NC2CC2)c2ncn([C@H]3CC(O)C(CO)C3)c2n1
InChIInChI=1S/C14H20N6O2/c15-14-18-12(17-8-1-2-8)11-13(19-14)20(6-16-11)9-3-7(5-21)10(22)4-9/h6-10,21-22H,1-5H2,(H3,15,17,18,19)/t7?,9-,10?/m1/s1
InChIKeyYXNXDKZSYVDBET-HDDMYIMNSA-N
MW304.35 g/mol
LogP0.29
Rot. Bonds4

About (4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol

(4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 54532575) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol
PubChem CID54532575
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name(4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol
SMILESNc1nc(NC2CC2)c2ncn([C@H]3CC(O)C(CO)C3)c2n1
InChIInChI=1S/C14H20N6O2/c15-14-18-12(17-8-1-2-8)11-13(19-14)20(6-16-11)9-3-7(5-21)10(22)4-9/h6-10,21-22H,1-5H2,(H3,15,17,18,19)/t7?,9-,10?/m1/s1
InChIKeyYXNXDKZSYVDBET-HDDMYIMNSA-N
XLogP0.29
TPSA122.11 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

[(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol
CID 156801983
4-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol;dihydrochloride
CID 77366835
(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
[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrate;dihydrobromide
CID 67082550
(3R,4S,5R)-2-[2-amino-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46874172
(2S,3S,4R,5S)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)thiolan-3-ol
CID 57124457
(2R,3R,4S,5R)-2-[2-amino-6-(cycloheptylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 10571693
[(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
CID 18646157
(1S,2R,4R)-4-(2-amino-6-prop-2-enylsulfanylpurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol
CID 57083073
[(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 56967848
trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol
CID 73050804

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of (4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol (CID 54532575) is (4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for (4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol is Nc1nc(NC2CC2)c2ncn([C@H]3CC(O)C(CO)C3)c2n1.
What is the InChIKey of (4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is YXNXDKZSYVDBET-HDDMYIMNSA-N. The full InChI is InChI=1S/C14H20N6O2/c15-14-18-12(17-8-1-2-8)11-13(19-14)20(6-16-11)9-3-7(5-21)10(22)4-9/h6-10,21-22H,1-5H2,(H3,15,17,18,19)/t7?,9-,10?/m1/s1.
What are the key properties of (4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol?
(4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 304.35 g/mol, XLogP of 0.29, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 54532575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).