N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropyl-6-hydrazinyl-N-methylpyrimidin-4-amine

C13H16BrN5S — CID 80963819

IUPACN-[(5-bromothiophen-3-yl)methyl]-2-cyclopropyl-6-hydrazinyl-N-methylpyrimidin-4-amine
SMILESCN(Cc1csc(Br)c1)c1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C13H16BrN5S/c1-19(6-8-4-10(14)20-7-8)12-5-11(18-15)16-13(17-12)9-2-3-9/h4-5,7,9H,2-3,6,15H2,1H3,(H,16,17,18)
InChIKeyASBCTNJAIJZBIN-UHFFFAOYSA-N
MW354.28 g/mol
LogP3.10
Rot. Bonds5

About N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropyl-6-hydrazinyl-N-methylpyrimidin-4-amine

N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropyl-6-hydrazinyl-N-methylpyrimidin-4-amine (PubChem CID 80963819) has the molecular formula C13H16BrN5S and a molecular weight of 354.28 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropyl-6-hydrazinyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-2-cyclopropyl-6-hydrazinyl-N-methylpyrimidin-4-amine
PubChem CID80963819
Molecular FormulaC13H16BrN5S
Molecular Weight354.28 g/mol
Exact Mass353.03
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-2-cyclopropyl-6-hydrazinyl-N-methylpyrimidin-4-amine
SMILESCN(Cc1csc(Br)c1)c1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C13H16BrN5S/c1-19(6-8-4-10(14)20-7-8)12-5-11(18-15)16-13(17-12)9-2-3-9/h4-5,7,9H,2-3,6,15H2,1H3,(H,16,17,18)
InChIKeyASBCTNJAIJZBIN-UHFFFAOYSA-N
XLogP3.10
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80804328
2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80963764
1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80964380
4-N-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80961694
2-cyclopropyl-N,N-diethyl-6-hydrazinylpyrimidin-4-amine
CID 80968922
4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80805322
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 80963769
2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutan-2-yl)pyrimidin-4-amine
CID 80968340
2-cyclopropyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
CID 80964513
4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80949319
2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80805230
N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N-methylimidazo[1,2-a]pyrazin-8-amine
CID 80904273

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropyl-6-hydrazinyl-N-methylpyrimidin-4-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropyl-6-hydrazinyl-N-methylpyrimidin-4-amine (CID 80963819) is N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropyl-6-hydrazinyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropyl-6-hydrazinyl-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropyl-6-hydrazinyl-N-methylpyrimidin-4-amine is CN(Cc1csc(Br)c1)c1cc(NN)nc(C2CC2)n1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropyl-6-hydrazinyl-N-methylpyrimidin-4-amine?
The InChIKey is ASBCTNJAIJZBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5S/c1-19(6-8-4-10(14)20-7-8)12-5-11(18-15)16-13(17-12)9-2-3-9/h4-5,7,9H,2-3,6,15H2,1H3,(H,16,17,18).
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropyl-6-hydrazinyl-N-methylpyrimidin-4-amine?
N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropyl-6-hydrazinyl-N-methylpyrimidin-4-amine has a molecular weight of 354.28 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropyl-6-hydrazinyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80963819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).