N-cyclopropyl-N-(2,2-dimethylpropyl)-7H-purin-6-amine

C13H19N5 — CID 69097604

IUPACN-cyclopropyl-N-(2,2-dimethylpropyl)-7H-purin-6-amine
SMILESCC(C)(C)CN(c1ncnc2nc[nH]c12)C1CC1
InChIInChI=1S/C13H19N5/c1-13(2,3)6-18(9-4-5-9)12-10-11(15-7-14-10)16-8-17-12/h7-9H,4-6H2,1-3H3,(H,14,15,16,17)
InChIKeyCFNOWWOZWUQQBG-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.37
Rot. Bonds3

About N-cyclopropyl-N-(2,2-dimethylpropyl)-7H-purin-6-amine

N-cyclopropyl-N-(2,2-dimethylpropyl)-7H-purin-6-amine (PubChem CID 69097604) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-cyclopropyl-N-(2,2-dimethylpropyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(2,2-dimethylpropyl)-7H-purin-6-amine
PubChem CID69097604
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-cyclopropyl-N-(2,2-dimethylpropyl)-7H-purin-6-amine
SMILESCC(C)(C)CN(c1ncnc2nc[nH]c12)C1CC1
InChIInChI=1S/C13H19N5/c1-13(2,3)6-18(9-4-5-9)12-10-11(15-7-14-10)16-8-17-12/h7-9H,4-6H2,1-3H3,(H,14,15,16,17)
InChIKeyCFNOWWOZWUQQBG-UHFFFAOYSA-N
XLogP2.37
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2,2-dimethylpropyl)-7H-purin-6-amine?
The IUPAC name of N-cyclopropyl-N-(2,2-dimethylpropyl)-7H-purin-6-amine (CID 69097604) is N-cyclopropyl-N-(2,2-dimethylpropyl)-7H-purin-6-amine.
What is the SMILES notation for N-cyclopropyl-N-(2,2-dimethylpropyl)-7H-purin-6-amine?
The canonical SMILES for N-cyclopropyl-N-(2,2-dimethylpropyl)-7H-purin-6-amine is CC(C)(C)CN(c1ncnc2nc[nH]c12)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2,2-dimethylpropyl)-7H-purin-6-amine?
The InChIKey is CFNOWWOZWUQQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-13(2,3)6-18(9-4-5-9)12-10-11(15-7-14-10)16-8-17-12/h7-9H,4-6H2,1-3H3,(H,14,15,16,17).
What are the key properties of N-cyclopropyl-N-(2,2-dimethylpropyl)-7H-purin-6-amine?
N-cyclopropyl-N-(2,2-dimethylpropyl)-7H-purin-6-amine has a molecular weight of 245.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2,2-dimethylpropyl)-7H-purin-6-amine is sourced from PubChem (CID 69097604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).