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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Related Compounds

N-cyclohexyl-N-ethyl-7H-purin-6-amine
CID 2155059
N-[(4-aminophenyl)methyl]-N-cyclopropyl-7H-purin-6-amine
CID 60876484
N-methyl-N-(oxan-4-yl)-7H-purin-6-amine
CID 155982544
N,N-bis(trimethylsilyl)-7H-purin-6-amine
CID 19910051
N,N-bis(methylamino)-7H-purin-6-amine
CID 66676633
N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine
CID 47357925
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-7H-purin-6-amine
CID 79119003
N'-methyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 62593872
N-(4-chlorobutyl)-N-methyl-7H-purin-6-amine
CID 13285773
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-7H-purin-6-amine
CID 126918139
N-butyl-2-chloro-N-cyclopropyl-7H-purin-6-amine
CID 113453078
2-[methyl(7H-purin-6-yl)amino]-N-piperidin-4-yl-N-propylacetamide
CID 119826160

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).