N-[(4-bromothiophen-2-yl)methyl]-7H-purin-6-amine

C10H8BrN5S — CID 47282308

IUPACN-[(4-bromothiophen-2-yl)methyl]-7H-purin-6-amine
SMILESBrc1csc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C10H8BrN5S/c11-6-1-7(17-3-6)2-12-9-8-10(14-4-13-8)16-5-15-9/h1,3-5H,2H2,(H2,12,13,14,15,16)
InChIKeyLNFBMLWTRJGHRB-UHFFFAOYSA-N
MW310.18 g/mol
LogP2.79
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-7H-purin-6-amine

N-[(4-bromothiophen-2-yl)methyl]-7H-purin-6-amine (PubChem CID 47282308) has the molecular formula C10H8BrN5S and a molecular weight of 310.18 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-7H-purin-6-amine
PubChem CID47282308
Molecular FormulaC10H8BrN5S
Molecular Weight310.18 g/mol
Exact Mass308.97
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-7H-purin-6-amine
SMILESBrc1csc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C10H8BrN5S/c11-6-1-7(17-3-6)2-12-9-8-10(14-4-13-8)16-5-15-9/h1,3-5H,2H2,(H2,12,13,14,15,16)
InChIKeyLNFBMLWTRJGHRB-UHFFFAOYSA-N
XLogP2.79
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine
CID 58205175
[3,5-dihydroxy-4-[(7H-purin-6-ylamino)methyl]phenyl] hypobromite
CID 69240765
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-7H-purin-6-amine
CID 10223442
(7H-purin-6-ylamino)methanol
CID 86209273
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-7H-purin-6-amine
CID 47078601
2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69242881
4-N-[(4-bromothiophen-2-yl)methyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80837173
5-chloro-2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69243386
N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine
CID 69240317
2-[(7H-purin-6-ylamino)methyl]benzene-1,4-diol
CID 69242422
N-(2,2-difluoroethyl)-7H-purin-6-amine
CID 79098846
N-[2-(3-bromophenoxy)ethyl]-7H-purin-6-amine
CID 47066472

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-7H-purin-6-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-7H-purin-6-amine (CID 47282308) is N-[(4-bromothiophen-2-yl)methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-7H-purin-6-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-7H-purin-6-amine is Brc1csc(CNc2ncnc3nc[nH]c23)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-7H-purin-6-amine?
The InChIKey is LNFBMLWTRJGHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN5S/c11-6-1-7(17-3-6)2-12-9-8-10(14-4-13-8)16-5-15-9/h1,3-5H,2H2,(H2,12,13,14,15,16).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-7H-purin-6-amine?
N-[(4-bromothiophen-2-yl)methyl]-7H-purin-6-amine has a molecular weight of 310.18 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 47282308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).