[(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]cyclopropyl]methanol

C13H16N6O — CID 102121593

IUPAC[(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]cyclopropyl]methanol
SMILESNc1nc(NC2CC2)c2ncn(/C=C3\CC3CO)c2n1
InChIInChI=1S/C13H16N6O/c14-13-17-11(16-9-1-2-9)10-12(18-13)19(6-15-10)4-7-3-8(7)5-20/h4,6,8-9,20H,1-3,5H2,(H3,14,16,17,18)/b7-4+
InChIKeyDPTRQGRTNTZGFK-QPJJXVBHSA-N
MW272.31 g/mol
LogP0.84
Rot. Bonds4

About [(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]cyclopropyl]methanol

[(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]cyclopropyl]methanol (PubChem CID 102121593) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is [(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]cyclopropyl]methanol.

Molecular Properties

Compound Name[(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]cyclopropyl]methanol
PubChem CID102121593
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name[(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]cyclopropyl]methanol
SMILESNc1nc(NC2CC2)c2ncn(/C=C3\CC3CO)c2n1
InChIInChI=1S/C13H16N6O/c14-13-17-11(16-9-1-2-9)10-12(18-13)19(6-15-10)4-7-3-8(7)5-20/h4,6,8-9,20H,1-3,5H2,(H3,14,16,17,18)/b7-4+
InChIKeyDPTRQGRTNTZGFK-QPJJXVBHSA-N
XLogP0.84
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]cyclopropyl]methanol with MolForge

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Related Compounds

[(1S,2Z)-2-[[2-amino-6-(prop-2-enylamino)purin-9-yl]methylidene]cyclopropyl]methanol
CID 3006037
[(1S)-2-[(2-amino-6-prop-2-enoxypurin-9-yl)methylidene]cyclopropyl]methanol
CID 503507
[(1S,2Z)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol
CID 3001845
2-amino-9-[(E)-[(2R)-2-(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one
CID 135856560
(4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol
CID 54532575
[(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol
CID 156801983
[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrate;dihydrobromide
CID 67082550
[(2R,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-6-oxabicyclo[3.1.0]hexan-2-yl]methanol
CID 170455114
(2S,3S,4R,5S)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)thiolan-3-ol
CID 57124457
[(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 56967848
(3R,4S,5R)-2-[2-amino-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46874172
(1S,2R,3R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(hydroxymethyl)-1-methylcyclopentane-1,2-diol
CID 102392372

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]cyclopropyl]methanol?
The IUPAC name of [(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]cyclopropyl]methanol (CID 102121593) is [(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]cyclopropyl]methanol.
What is the SMILES notation for [(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]cyclopropyl]methanol?
The canonical SMILES for [(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]cyclopropyl]methanol is Nc1nc(NC2CC2)c2ncn(/C=C3\CC3CO)c2n1.
What is the InChIKey of [(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]cyclopropyl]methanol?
The InChIKey is DPTRQGRTNTZGFK-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H16N6O/c14-13-17-11(16-9-1-2-9)10-12(18-13)19(6-15-10)4-7-3-8(7)5-20/h4,6,8-9,20H,1-3,5H2,(H3,14,16,17,18)/b7-4+.
What are the key properties of [(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]cyclopropyl]methanol?
[(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]cyclopropyl]methanol has a molecular weight of 272.31 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]cyclopropyl]methanol is sourced from PubChem (CID 102121593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).