N-[(1-methylsulfanylcyclopropyl)methyl]-7H-purin-6-amine

C10H13N5S — CID 107269112

IUPACN-[(1-methylsulfanylcyclopropyl)methyl]-7H-purin-6-amine
SMILESCSC1(CNc2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C10H13N5S/c1-16-10(2-3-10)4-11-8-7-9(13-5-12-7)15-6-14-8/h5-6H,2-4H2,1H3,(H2,11,12,13,14,15)
InChIKeyWFOBQSBMQKRIRN-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.66
Rot. Bonds4

About N-[(1-methylsulfanylcyclopropyl)methyl]-7H-purin-6-amine

N-[(1-methylsulfanylcyclopropyl)methyl]-7H-purin-6-amine (PubChem CID 107269112) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclopropyl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclopropyl)methyl]-7H-purin-6-amine
PubChem CID107269112
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC NameN-[(1-methylsulfanylcyclopropyl)methyl]-7H-purin-6-amine
SMILESCSC1(CNc2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C10H13N5S/c1-16-10(2-3-10)4-11-8-7-9(13-5-12-7)15-6-14-8/h5-6H,2-4H2,1H3,(H2,11,12,13,14,15)
InChIKeyWFOBQSBMQKRIRN-UHFFFAOYSA-N
XLogP1.66
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine
CID 103753762
N-[(4-fluorooxan-4-yl)methyl]-7H-purin-6-amine
CID 171674081
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-7H-purin-6-amine
CID 133491700
[1-[(7H-purin-6-ylamino)methyl]cyclopentyl]methanol
CID 113294054
ethane;N-methylsulfanyl-7H-purin-6-amine
CID 144670169
N-butyl-7H-purin-6-amine;ethane
CID 154667457
(7H-purin-6-ylamino)methanol
CID 86209273
N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine
CID 58205175
N-(2,2-difluoroethyl)-7H-purin-6-amine
CID 79098846
N-(2,2-dimethoxypropyl)-7H-purin-6-amine
CID 139625079
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine
CID 66109410

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-7H-purin-6-amine?
The IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-7H-purin-6-amine (CID 107269112) is N-[(1-methylsulfanylcyclopropyl)methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1-methylsulfanylcyclopropyl)methyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1-methylsulfanylcyclopropyl)methyl]-7H-purin-6-amine is CSC1(CNc2ncnc3nc[nH]c23)CC1.
What is the InChIKey of N-[(1-methylsulfanylcyclopropyl)methyl]-7H-purin-6-amine?
The InChIKey is WFOBQSBMQKRIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-16-10(2-3-10)4-11-8-7-9(13-5-12-7)15-6-14-8/h5-6H,2-4H2,1H3,(H2,11,12,13,14,15).
What are the key properties of N-[(1-methylsulfanylcyclopropyl)methyl]-7H-purin-6-amine?
N-[(1-methylsulfanylcyclopropyl)methyl]-7H-purin-6-amine has a molecular weight of 235.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclopropyl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 107269112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).