9-(cyclobutylmethyl)-N,N-dimethylpurin-6-amine

C12H17N5 — CID 10633289

IUPAC9-(cyclobutylmethyl)-N,N-dimethylpurin-6-amine
SMILESCN(C)c1ncnc2c1ncn2CC1CCC1
InChIInChI=1S/C12H17N5/c1-16(2)11-10-12(14-7-13-11)17(8-15-10)6-9-4-3-5-9/h7-9H,3-6H2,1-2H3
InChIKeyDZEYZDUJZTULOG-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.69
Rot. Bonds3

About 9-(cyclobutylmethyl)-N,N-dimethylpurin-6-amine

9-(cyclobutylmethyl)-N,N-dimethylpurin-6-amine (PubChem CID 10633289) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 9-(cyclobutylmethyl)-N,N-dimethylpurin-6-amine.

Molecular Properties

Compound Name9-(cyclobutylmethyl)-N,N-dimethylpurin-6-amine
PubChem CID10633289
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name9-(cyclobutylmethyl)-N,N-dimethylpurin-6-amine
SMILESCN(C)c1ncnc2c1ncn2CC1CCC1
InChIInChI=1S/C12H17N5/c1-16(2)11-10-12(14-7-13-11)17(8-15-10)6-9-4-3-5-9/h7-9H,3-6H2,1-2H3
InChIKeyDZEYZDUJZTULOG-UHFFFAOYSA-N
XLogP1.69
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-Methyladenine
CID 71593
9-Methyladenine
CID 69689
9-Ethyladenine
CID 7
8-Bromo-9-ethyladenine
CID 5248753
9-Cyclopentyladenine
CID 12852
9H-Purin-6-amine, N,9-dimethyl-
CID 94845
N-Cyclopentyl-9-methyl-9H-purin-6-amine
CID 4401
N,N-dibutyl-7H-purin-6-amine
CID 2155055
9-(3-Methyl-but-2-enyl)-9H-purin-6-ylamine
CID 10655770
9-cyclopropyl-9H-purin-6-amine
CID 414708
8-Bromo-9-butyl-9H-purin-6-amine
CID 11608719
1-[1-(9h-Purin-6-Yl)piperidin-4-Yl]methanamine
CID 11708454

Frequently Asked Questions

What is the IUPAC name of 9-(cyclobutylmethyl)-N,N-dimethylpurin-6-amine?
The IUPAC name of 9-(cyclobutylmethyl)-N,N-dimethylpurin-6-amine (CID 10633289) is 9-(cyclobutylmethyl)-N,N-dimethylpurin-6-amine.
What is the SMILES notation for 9-(cyclobutylmethyl)-N,N-dimethylpurin-6-amine?
The canonical SMILES for 9-(cyclobutylmethyl)-N,N-dimethylpurin-6-amine is CN(C)c1ncnc2c1ncn2CC1CCC1.
What is the InChIKey of 9-(cyclobutylmethyl)-N,N-dimethylpurin-6-amine?
The InChIKey is DZEYZDUJZTULOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-16(2)11-10-12(14-7-13-11)17(8-15-10)6-9-4-3-5-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 9-(cyclobutylmethyl)-N,N-dimethylpurin-6-amine?
9-(cyclobutylmethyl)-N,N-dimethylpurin-6-amine has a molecular weight of 231.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclobutylmethyl)-N,N-dimethylpurin-6-amine is sourced from PubChem (CID 10633289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).