[(1S,2Z)-2-[[2-amino-6-(cyclopropylmethylamino)purin-9-yl]methylidene]cyclopropyl]methanol

C14H18N6O — CID 3006043

IUPAC[(1S,2Z)-2-[[2-amino-6-(cyclopropylmethylamino)purin-9-yl]methylidene]cyclopropyl]methanol
SMILESNc1nc(NCC2CC2)c2ncn(/C=C3/C[C@@H]3CO)c2n1
InChIInChI=1S/C14H18N6O/c15-14-18-12(16-4-8-1-2-8)11-13(19-14)20(7-17-11)5-9-3-10(9)6-21/h5,7-8,10,21H,1-4,6H2,(H3,15,16,18,19)/b9-5-/t10-/m1/s1
InChIKeyXAWISFDVBDAIRK-HYHWUIIZSA-N
MW286.34 g/mol
LogP1.08
Rot. Bonds5

About [(1S,2Z)-2-[[2-amino-6-(cyclopropylmethylamino)purin-9-yl]methylidene]cyclopropyl]methanol

[(1S,2Z)-2-[[2-amino-6-(cyclopropylmethylamino)purin-9-yl]methylidene]cyclopropyl]methanol (PubChem CID 3006043) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is [(1S,2Z)-2-[[2-amino-6-(cyclopropylmethylamino)purin-9-yl]methylidene]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2Z)-2-[[2-amino-6-(cyclopropylmethylamino)purin-9-yl]methylidene]cyclopropyl]methanol
PubChem CID3006043
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name[(1S,2Z)-2-[[2-amino-6-(cyclopropylmethylamino)purin-9-yl]methylidene]cyclopropyl]methanol
SMILESNc1nc(NCC2CC2)c2ncn(/C=C3/C[C@@H]3CO)c2n1
InChIInChI=1S/C14H18N6O/c15-14-18-12(16-4-8-1-2-8)11-13(19-14)20(7-17-11)5-9-3-10(9)6-21/h5,7-8,10,21H,1-4,6H2,(H3,15,16,18,19)/b9-5-/t10-/m1/s1
InChIKeyXAWISFDVBDAIRK-HYHWUIIZSA-N
XLogP1.08
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(1S,2Z)-2-[[2-amino-6-(cyclopropylmethylamino)purin-9-yl]methylidene]cyclopropyl]methanol?
The IUPAC name of [(1S,2Z)-2-[[2-amino-6-(cyclopropylmethylamino)purin-9-yl]methylidene]cyclopropyl]methanol (CID 3006043) is [(1S,2Z)-2-[[2-amino-6-(cyclopropylmethylamino)purin-9-yl]methylidene]cyclopropyl]methanol.
What is the SMILES notation for [(1S,2Z)-2-[[2-amino-6-(cyclopropylmethylamino)purin-9-yl]methylidene]cyclopropyl]methanol?
The canonical SMILES for [(1S,2Z)-2-[[2-amino-6-(cyclopropylmethylamino)purin-9-yl]methylidene]cyclopropyl]methanol is Nc1nc(NCC2CC2)c2ncn(/C=C3/C[C@@H]3CO)c2n1.
What is the InChIKey of [(1S,2Z)-2-[[2-amino-6-(cyclopropylmethylamino)purin-9-yl]methylidene]cyclopropyl]methanol?
The InChIKey is XAWISFDVBDAIRK-HYHWUIIZSA-N. The full InChI is InChI=1S/C14H18N6O/c15-14-18-12(16-4-8-1-2-8)11-13(19-14)20(7-17-11)5-9-3-10(9)6-21/h5,7-8,10,21H,1-4,6H2,(H3,15,16,18,19)/b9-5-/t10-/m1/s1.
What are the key properties of [(1S,2Z)-2-[[2-amino-6-(cyclopropylmethylamino)purin-9-yl]methylidene]cyclopropyl]methanol?
[(1S,2Z)-2-[[2-amino-6-(cyclopropylmethylamino)purin-9-yl]methylidene]cyclopropyl]methanol has a molecular weight of 286.34 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2Z)-2-[[2-amino-6-(cyclopropylmethylamino)purin-9-yl]methylidene]cyclopropyl]methanol is sourced from PubChem (CID 3006043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).