2-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-cyclopropylideneethanol

C14H18N6O — CID 68808385

IUPAC2-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-cyclopropylideneethanol
SMILESNc1nc(NCC2CC2)c2ncn(C(CO)=C3CC3)c2n1
InChIInChI=1S/C14H18N6O/c15-14-18-12(16-5-8-1-2-8)11-13(19-14)20(7-17-11)10(6-21)9-3-4-9/h7-8,21H,1-6H2,(H3,15,16,18,19)
InChIKeyKNGSAOQALSMXCX-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.23
Rot. Bonds5

About 2-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-cyclopropylideneethanol

2-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-cyclopropylideneethanol (PubChem CID 68808385) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-cyclopropylideneethanol.

Molecular Properties

Compound Name2-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-cyclopropylideneethanol
PubChem CID68808385
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name2-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-cyclopropylideneethanol
SMILESNc1nc(NCC2CC2)c2ncn(C(CO)=C3CC3)c2n1
InChIInChI=1S/C14H18N6O/c15-14-18-12(16-5-8-1-2-8)11-13(19-14)20(7-17-11)10(6-21)9-3-4-9/h7-8,21H,1-6H2,(H3,15,16,18,19)
InChIKeyKNGSAOQALSMXCX-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-amino-6-(cyclohexylamino)purin-9-yl]-2-cyclopropylideneethanol
CID 68812403
4-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol;dihydrochloride
CID 77366835
2-(2-aminopurin-9-yl)-2-cyclopropylideneethanol
CID 69458930
(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
(2R)-2-[[6-(cyclopropylmethylamino)-9-propan-2-ylpurin-2-yl]amino]pentan-1-ol
CID 138485262
(1R,2S,3R,5R)-3-[2-amino-6-(methoxyamino)purin-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 10924939
2-[[2-amino-9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]purin-6-yl]amino]ethane-1,1-diol
CID 156545360
4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine
CID 80789448
5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80811968
(4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol
CID 54532575
[(1S,2Z)-2-[[2-amino-6-(prop-2-enylamino)purin-9-yl]methylidene]cyclopropyl]methanol
CID 3006037

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-cyclopropylideneethanol?
The IUPAC name of 2-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-cyclopropylideneethanol (CID 68808385) is 2-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-cyclopropylideneethanol.
What is the SMILES notation for 2-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-cyclopropylideneethanol?
The canonical SMILES for 2-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-cyclopropylideneethanol is Nc1nc(NCC2CC2)c2ncn(C(CO)=C3CC3)c2n1.
What is the InChIKey of 2-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-cyclopropylideneethanol?
The InChIKey is KNGSAOQALSMXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c15-14-18-12(16-5-8-1-2-8)11-13(19-14)20(7-17-11)10(6-21)9-3-4-9/h7-8,21H,1-6H2,(H3,15,16,18,19).
What are the key properties of 2-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-cyclopropylideneethanol?
2-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-cyclopropylideneethanol has a molecular weight of 286.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-cyclopropylideneethanol is sourced from PubChem (CID 68808385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).