4-methyl-4-(7H-purin-8-yl)oxolan-3-amine

C10H13N5O — CID 114401976

IUPAC4-methyl-4-(7H-purin-8-yl)oxolan-3-amine
SMILESCC1(c2nc3ncncc3[nH]2)COCC1N
InChIInChI=1S/C10H13N5O/c1-10(4-16-3-7(10)11)9-14-6-2-12-5-13-8(6)15-9/h2,5,7H,3-4,11H2,1H3,(H,12,13,14,15)
InChIKeyWZMWFJOUTJJHFM-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.03
Rot. Bonds1

About 4-methyl-4-(7H-purin-8-yl)oxolan-3-amine

4-methyl-4-(7H-purin-8-yl)oxolan-3-amine (PubChem CID 114401976) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-methyl-4-(7H-purin-8-yl)oxolan-3-amine.

Molecular Properties

Compound Name4-methyl-4-(7H-purin-8-yl)oxolan-3-amine
PubChem CID114401976
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name4-methyl-4-(7H-purin-8-yl)oxolan-3-amine
SMILESCC1(c2nc3ncncc3[nH]2)COCC1N
InChIInChI=1S/C10H13N5O/c1-10(4-16-3-7(10)11)9-14-6-2-12-5-13-8(6)15-9/h2,5,7H,3-4,11H2,1H3,(H,12,13,14,15)
InChIKeyWZMWFJOUTJJHFM-UHFFFAOYSA-N
XLogP-0.03
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[2-(1H-imidazol-5-yl)ethyl]-6-N-(2-methoxyethyl)-7H-purine-2,6-diamine
CID 155564198
2-methoxy-7H-purine
CID 13032372
9H-Purine, 2-ethoxy-
CID 68431433
ethyl 2-(9H-purin-8-yl)acetate
CID 54148149
Propylpurine
CID 18353372
Isopropyl purine
CID 18473604
Tetrahydrofuranyl purine
CID 20029969
4-Purinylpyrrolidine
CID 21145789
8-Ethoxypurine
CID 21738885
9-(Tetrahydro-2-furyl) purine
CID 23184999
Isopentylaminopurine
CID 53777812
Morpholinopurine
CID 66658580

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(7H-purin-8-yl)oxolan-3-amine?
The IUPAC name of 4-methyl-4-(7H-purin-8-yl)oxolan-3-amine (CID 114401976) is 4-methyl-4-(7H-purin-8-yl)oxolan-3-amine.
What is the SMILES notation for 4-methyl-4-(7H-purin-8-yl)oxolan-3-amine?
The canonical SMILES for 4-methyl-4-(7H-purin-8-yl)oxolan-3-amine is CC1(c2nc3ncncc3[nH]2)COCC1N.
What is the InChIKey of 4-methyl-4-(7H-purin-8-yl)oxolan-3-amine?
The InChIKey is WZMWFJOUTJJHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-10(4-16-3-7(10)11)9-14-6-2-12-5-13-8(6)15-9/h2,5,7H,3-4,11H2,1H3,(H,12,13,14,15).
What are the key properties of 4-methyl-4-(7H-purin-8-yl)oxolan-3-amine?
4-methyl-4-(7H-purin-8-yl)oxolan-3-amine has a molecular weight of 219.25 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(7H-purin-8-yl)oxolan-3-amine is sourced from PubChem (CID 114401976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).