N-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine

C9H8BrN3S — CID 61253580

IUPACN-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine
SMILESBrc1ccc(CNc2ccncn2)s1
InChIInChI=1S/C9H8BrN3S/c10-8-2-1-7(14-8)5-12-9-3-4-11-6-13-9/h1-4,6H,5H2,(H,11,12,13)
InChIKeyFTQMEXSTMCMBGM-UHFFFAOYSA-N
MW270.15 g/mol
LogP2.91
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine

N-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine (PubChem CID 61253580) has the molecular formula C9H8BrN3S and a molecular weight of 270.15 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine
PubChem CID61253580
Molecular FormulaC9H8BrN3S
Molecular Weight270.15 g/mol
Exact Mass268.96
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine
SMILESBrc1ccc(CNc2ccncn2)s1
InChIInChI=1S/C9H8BrN3S/c10-8-2-1-7(14-8)5-12-9-3-4-11-6-13-9/h1-4,6H,5H2,(H,11,12,13)
InChIKeyFTQMEXSTMCMBGM-UHFFFAOYSA-N
XLogP2.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-5-iodopyrimidin-4-amine
CID 66343007
N-[(5-bromothiophen-2-yl)methyl]-1,2-oxazol-3-amine
CID 130611411
N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80911739
N-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 61240171
2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80837433
4-[(5-bromothiophen-2-yl)methylsulfanyl]pyrimidine
CID 63696235
N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
CID 83063898
N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 61253577
3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine
CID 104540435
N-[(5-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine
CID 60808995
N-[(3-bromophenyl)methyl]pyrimidin-4-amine
CID 61401223
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine (CID 61253580) is N-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine is Brc1ccc(CNc2ccncn2)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is FTQMEXSTMCMBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3S/c10-8-2-1-7(14-8)5-12-9-3-4-11-6-13-9/h1-4,6H,5H2,(H,11,12,13).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine?
N-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 270.15 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 61253580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).