N-(2-cyclopropyloxolan-3-yl)-7H-purin-6-amine

C12H15N5O — CID 103863975

IUPACN-(2-cyclopropyloxolan-3-yl)-7H-purin-6-amine
SMILESc1nc(NC2CCOC2C2CC2)c2[nH]cnc2n1
InChIInChI=1S/C12H15N5O/c1-2-7(1)10-8(3-4-18-10)17-12-9-11(14-5-13-9)15-6-16-12/h5-8,10H,1-4H2,(H2,13,14,15,16,17)
InChIKeyVFMNNJBLURIOIG-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.33
Rot. Bonds3

About N-(2-cyclopropyloxolan-3-yl)-7H-purin-6-amine

N-(2-cyclopropyloxolan-3-yl)-7H-purin-6-amine (PubChem CID 103863975) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-(2-cyclopropyloxolan-3-yl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(2-cyclopropyloxolan-3-yl)-7H-purin-6-amine
PubChem CID103863975
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-(2-cyclopropyloxolan-3-yl)-7H-purin-6-amine
SMILESc1nc(NC2CCOC2C2CC2)c2[nH]cnc2n1
InChIInChI=1S/C12H15N5O/c1-2-7(1)10-8(3-4-18-10)17-12-9-11(14-5-13-9)15-6-16-12/h5-8,10H,1-4H2,(H2,13,14,15,16,17)
InChIKeyVFMNNJBLURIOIG-UHFFFAOYSA-N
XLogP1.33
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine
CID 131020883
2-(7H-purin-6-ylamino)cyclohexane-1-thiol
CID 518195
N-piperidin-4-yl-7H-purin-6-amine
CID 24689570
N-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine
CID 140997133
N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine
CID 61233310
N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine
CID 61223491
(3S)-2-(7H-purin-6-yl)oxolan-3-amine
CID 86585157
2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine
CID 167769299
N-[(3S)-azepan-3-yl]-7H-purin-6-amine
CID 167844435
N-(7H-purin-6-yl)hydroxylamine
CID 21876
(3S)-3-(7H-purin-6-ylamino)azepan-2-one
CID 95288271
N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-purin-6-amine
CID 129320692

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyloxolan-3-yl)-7H-purin-6-amine?
The IUPAC name of N-(2-cyclopropyloxolan-3-yl)-7H-purin-6-amine (CID 103863975) is N-(2-cyclopropyloxolan-3-yl)-7H-purin-6-amine.
What is the SMILES notation for N-(2-cyclopropyloxolan-3-yl)-7H-purin-6-amine?
The canonical SMILES for N-(2-cyclopropyloxolan-3-yl)-7H-purin-6-amine is c1nc(NC2CCOC2C2CC2)c2[nH]cnc2n1.
What is the InChIKey of N-(2-cyclopropyloxolan-3-yl)-7H-purin-6-amine?
The InChIKey is VFMNNJBLURIOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-7(1)10-8(3-4-18-10)17-12-9-11(14-5-13-9)15-6-16-12/h5-8,10H,1-4H2,(H2,13,14,15,16,17).
What are the key properties of N-(2-cyclopropyloxolan-3-yl)-7H-purin-6-amine?
N-(2-cyclopropyloxolan-3-yl)-7H-purin-6-amine has a molecular weight of 245.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyloxolan-3-yl)-7H-purin-6-amine is sourced from PubChem (CID 103863975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).