[6-amino-9-(oxolan-2-yl)purin-2-yl]-cyclopropylmethanone

C13H15N5O2 — CID 68931563

IUPAC[6-amino-9-(oxolan-2-yl)purin-2-yl]-cyclopropylmethanone
SMILESNc1nc(C(=O)C2CC2)nc2c1ncn2C1CCCO1
InChIInChI=1S/C13H15N5O2/c14-11-9-13(17-12(16-11)10(19)7-3-4-7)18(6-15-9)8-2-1-5-20-8/h6-8H,1-5H2,(H2,14,16,17)
InChIKeyAVGDDYWVFONKKG-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.31
Rot. Bonds3

About [6-amino-9-(oxolan-2-yl)purin-2-yl]-cyclopropylmethanone

[6-amino-9-(oxolan-2-yl)purin-2-yl]-cyclopropylmethanone (PubChem CID 68931563) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is [6-amino-9-(oxolan-2-yl)purin-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[6-amino-9-(oxolan-2-yl)purin-2-yl]-cyclopropylmethanone
PubChem CID68931563
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name[6-amino-9-(oxolan-2-yl)purin-2-yl]-cyclopropylmethanone
SMILESNc1nc(C(=O)C2CC2)nc2c1ncn2C1CCCO1
InChIInChI=1S/C13H15N5O2/c14-11-9-13(17-12(16-11)10(19)7-3-4-7)18(6-15-9)8-2-1-5-20-8/h6-8H,1-5H2,(H2,14,16,17)
InChIKeyAVGDDYWVFONKKG-UHFFFAOYSA-N
XLogP1.31
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-(2-chlorophenyl)-9-(oxolan-2-yl)purine-2,6-diamine
CID 146574966
N-(2-chlorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine
CID 146575044
9-(oxolan-2-yl)-2,6-di(propan-2-yl)purine
CID 176926702
1,2-diiodopropane;2-isocyano-9-(oxan-2-yl)purin-6-amine
CID 123311479
3-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,3-diamine
CID 146575151
2,6-difluoro-9-(oxan-2-yl)purine
CID 155436461
[6-ethoxy-9-(oxan-2-yl)purin-2-yl]urea
CID 102100714
4-N-[2-fluoro-9-(oxan-2-yl)purin-6-yl]benzene-1,4-diamine
CID 146574821
6-N-(2-bromophenyl)-9-(oxolan-2-yl)purine-2,6-diamine
CID 146574948
2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine
CID 146575258
1-N,4-N-bis[2-chloro-9-(oxan-2-yl)purin-6-yl]cyclohexane-1,4-diamine
CID 59343091
4-(6-amino-2-ethynylpurin-9-yl)cyclohexane-1-carboxylic acid
CID 134214774

Frequently Asked Questions

What is the IUPAC name of [6-amino-9-(oxolan-2-yl)purin-2-yl]-cyclopropylmethanone?
The IUPAC name of [6-amino-9-(oxolan-2-yl)purin-2-yl]-cyclopropylmethanone (CID 68931563) is [6-amino-9-(oxolan-2-yl)purin-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [6-amino-9-(oxolan-2-yl)purin-2-yl]-cyclopropylmethanone?
The canonical SMILES for [6-amino-9-(oxolan-2-yl)purin-2-yl]-cyclopropylmethanone is Nc1nc(C(=O)C2CC2)nc2c1ncn2C1CCCO1.
What is the InChIKey of [6-amino-9-(oxolan-2-yl)purin-2-yl]-cyclopropylmethanone?
The InChIKey is AVGDDYWVFONKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c14-11-9-13(17-12(16-11)10(19)7-3-4-7)18(6-15-9)8-2-1-5-20-8/h6-8H,1-5H2,(H2,14,16,17).
What are the key properties of [6-amino-9-(oxolan-2-yl)purin-2-yl]-cyclopropylmethanone?
[6-amino-9-(oxolan-2-yl)purin-2-yl]-cyclopropylmethanone has a molecular weight of 273.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-9-(oxolan-2-yl)purin-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 68931563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).