5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine

C11H14ClN5S — CID 80930673

IUPAC5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
SMILESCc1cc(CNc2nc(NN)ncc2Cl)sc1C
InChIInChI=1S/C11H14ClN5S/c1-6-3-8(18-7(6)2)4-14-10-9(12)5-15-11(16-10)17-13/h3,5H,4,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyZPBHAPAXIJDSTG-UHFFFAOYSA-N
MW283.79 g/mol
LogP2.71
Rot. Bonds4

About 5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine

5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine (PubChem CID 80930673) has the molecular formula C11H14ClN5S and a molecular weight of 283.79 g/mol. Its IUPAC name is 5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
PubChem CID80930673
Molecular FormulaC11H14ClN5S
Molecular Weight283.79 g/mol
Exact Mass283.07
IUPAC Name5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
SMILESCc1cc(CNc2nc(NN)ncc2Cl)sc1C
InChIInChI=1S/C11H14ClN5S/c1-6-3-8(18-7(6)2)4-14-10-9(12)5-15-11(16-10)17-13/h3,5H,4,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyZPBHAPAXIJDSTG-UHFFFAOYSA-N
XLogP2.71
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.79
LogP ≤ 52.71
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

5-chloro-2-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 80903865
3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazin-2-amine
CID 65245690
5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine
CID 80898024
6-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylpyrimidin-4-amine
CID 65245889
5-bromo-2-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80907879
5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 80932410
1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80915615
N-[(4,5-dimethylthiophen-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 65245675
3-bromo-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine
CID 79534922
2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 79632909
4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80931350
5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424726

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine (CID 80930673) is 5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine is Cc1cc(CNc2nc(NN)ncc2Cl)sc1C.
What is the InChIKey of 5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine?
The InChIKey is ZPBHAPAXIJDSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5S/c1-6-3-8(18-7(6)2)4-14-10-9(12)5-15-11(16-10)17-13/h3,5H,4,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine?
5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine has a molecular weight of 283.79 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80930673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).