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

C12H16BrN5S — CID 81007260

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(NN)c(C)c(NCc2cc(Br)cs2)n1
InChIInChI=1S/C12H16BrN5S/c1-3-10-16-11(7(2)12(17-10)18-14)15-5-9-4-8(13)6-19-9/h4,6H,3,5,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyYMGJWXBADRYUKK-UHFFFAOYSA-N
MW342.27 g/mol
LogP3.07
Rot. Bonds5

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

N-[(4-bromothiophen-2-yl)methyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 81007260) has the molecular formula C12H16BrN5S and a molecular weight of 342.27 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID81007260
Molecular FormulaC12H16BrN5S
Molecular Weight342.27 g/mol
Exact Mass341.03
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(NN)c(C)c(NCc2cc(Br)cs2)n1
InChIInChI=1S/C12H16BrN5S/c1-3-10-16-11(7(2)12(17-10)18-14)15-5-9-4-8(13)6-19-9/h4,6H,3,5,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyYMGJWXBADRYUKK-UHFFFAOYSA-N
XLogP3.07
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 53.07
H-Bond Donors ≤ 53
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

2-ethyl-6-hydrazinyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 80995721
4-N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80836890
2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 82751584
5-bromo-4-N-[(4-bromothiophen-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80836657
N-[(4-bromothiophen-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80917949
2-ethyl-6-hydrazinyl-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 81007235
3-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 81007453
N-[(4-bromothiophen-2-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362665
4-N-[(4-bromothiophen-2-yl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80837442
N-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80969584
N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethylpyridin-2-amine
CID 115750528
N-[(4-bromothiophen-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65168951

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine (CID 81007260) is N-[(4-bromothiophen-2-yl)methyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine is CCc1nc(NN)c(C)c(NCc2cc(Br)cs2)n1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is YMGJWXBADRYUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5S/c1-3-10-16-11(7(2)12(17-10)18-14)15-5-9-4-8(13)6-19-9/h4,6H,3,5,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
N-[(4-bromothiophen-2-yl)methyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 342.27 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 81007260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).