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

C9H7BrIN3S — CID 66343007

IUPACN-[(5-bromothiophen-2-yl)methyl]-5-iodopyrimidin-4-amine
SMILESBrc1ccc(CNc2ncncc2I)s1
InChIInChI=1S/C9H7BrIN3S/c10-8-2-1-6(15-8)3-13-9-7(11)4-12-5-14-9/h1-2,4-5H,3H2,(H,12,13,14)
InChIKeyCZIFHYSQQXMTIN-UHFFFAOYSA-N
MW396.05 g/mol
LogP3.52
Rot. Bonds3

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

N-[(5-bromothiophen-2-yl)methyl]-5-iodopyrimidin-4-amine (PubChem CID 66343007) has the molecular formula C9H7BrIN3S and a molecular weight of 396.05 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-5-iodopyrimidin-4-amine
PubChem CID66343007
Molecular FormulaC9H7BrIN3S
Molecular Weight396.05 g/mol
Exact Mass394.86
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-5-iodopyrimidin-4-amine
SMILESBrc1ccc(CNc2ncncc2I)s1
InChIInChI=1S/C9H7BrIN3S/c10-8-2-1-6(15-8)3-13-9-7(11)4-12-5-14-9/h1-2,4-5H,3H2,(H,12,13,14)
InChIKeyCZIFHYSQQXMTIN-UHFFFAOYSA-N
XLogP3.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.05
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine
CID 61253580
4-N-[(5-bromothiophen-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine
CID 80838008
5-iodo-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 66341707
N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
CID 83063898
4-N-[(5-bromothiophen-2-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80837341
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80911404
4-N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 80836650
5-iodo-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
CID 66341453
3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carbonitrile
CID 62672701
2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80837433
N-[(5-bromothiophen-2-yl)methyl]-1,2-oxazol-3-amine
CID 130611411
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]-5-iodopyrimidin-4-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-iodopyrimidin-4-amine (CID 66343007) is N-[(5-bromothiophen-2-yl)methyl]-5-iodopyrimidin-4-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-5-iodopyrimidin-4-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-5-iodopyrimidin-4-amine is Brc1ccc(CNc2ncncc2I)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-5-iodopyrimidin-4-amine?
The InChIKey is CZIFHYSQQXMTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrIN3S/c10-8-2-1-6(15-8)3-13-9-7(11)4-12-5-14-9/h1-2,4-5H,3H2,(H,12,13,14).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-5-iodopyrimidin-4-amine?
N-[(5-bromothiophen-2-yl)methyl]-5-iodopyrimidin-4-amine has a molecular weight of 396.05 g/mol, XLogP of 3.52, 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]-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66343007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).