N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine

C10H13N5 — CID 61223491

IUPACN-(2,2-dimethylcyclopropyl)-7H-purin-6-amine
SMILESCC1(C)CC1Nc1ncnc2nc[nH]c12
InChIInChI=1S/C10H13N5/c1-10(2)3-6(10)15-9-7-8(12-4-11-7)13-5-14-9/h4-6H,3H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyOYFBMVJQTPBPKQ-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.56
Rot. Bonds2

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

N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine (PubChem CID 61223491) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-7H-purin-6-amine
PubChem CID61223491
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC NameN-(2,2-dimethylcyclopropyl)-7H-purin-6-amine
SMILESCC1(C)CC1Nc1ncnc2nc[nH]c12
InChIInChI=1S/C10H13N5/c1-10(2)3-6(10)15-9-7-8(12-4-11-7)13-5-14-9/h4-6H,3H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyOYFBMVJQTPBPKQ-UHFFFAOYSA-N
XLogP1.56
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-7H-purin-6-amine
CID 95971222
N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine
CID 131020883
2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine
CID 167769299
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
2-(7H-purin-6-ylamino)cyclohexane-1-thiol
CID 518195
iodomethane;N-methyl-7H-purin-6-amine
CID 142609463
N-(7H-purin-6-yl)hydroxylamine
CID 21876
N-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine
CID 103753762
N-(trideuteriomethyl)-7H-purin-6-amine
CID 169443443
N-[(3S)-azepan-3-yl]-7H-purin-6-amine
CID 167844435

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine (CID 61223491) is N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine is CC1(C)CC1Nc1ncnc2nc[nH]c12.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine?
The InChIKey is OYFBMVJQTPBPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-10(2)3-6(10)15-9-7-8(12-4-11-7)13-5-14-9/h4-6H,3H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine?
N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine has a molecular weight of 203.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine is sourced from PubChem (CID 61223491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).