4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine

C11H16N6S — CID 80931350

IUPAC4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
SMILESCc1cc(CNc2cc(NN)nc(N)n2)sc1C
InChIInChI=1S/C11H16N6S/c1-6-3-8(18-7(6)2)5-14-9-4-10(17-13)16-11(12)15-9/h3-4H,5,13H2,1-2H3,(H4,12,14,15,16,17)
InChIKeyYAAIDXQELIWAEK-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.63
Rot. Bonds4

About 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine

4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine (PubChem CID 80931350) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
PubChem CID80931350
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
SMILESCc1cc(CNc2cc(NN)nc(N)n2)sc1C
InChIInChI=1S/C11H16N6S/c1-6-3-8(18-7(6)2)5-14-9-4-10(17-13)16-11(12)15-9/h3-4H,5,13H2,1-2H3,(H4,12,14,15,16,17)
InChIKeyYAAIDXQELIWAEK-UHFFFAOYSA-N
XLogP1.63
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80842748
6-hydrazinyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 80903751
6-hydrazinyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 80896903
N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 80931129
2-N-[(4,5-dimethylthiophen-2-yl)methyl]quinoline-2,6-diamine
CID 65246656
4-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80829137
5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80930673
N-[(4,5-dimethylthiophen-2-yl)methyl]quinolin-2-amine
CID 65244096
2-N-[(4,5-dimethylthiophen-2-yl)methyl]benzene-1,2-diamine
CID 65246171
4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80943551
3-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,3-diamine
CID 104540489
4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80932754

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine (CID 80931350) is 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine is Cc1cc(CNc2cc(NN)nc(N)n2)sc1C.
What is the InChIKey of 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine?
The InChIKey is YAAIDXQELIWAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-6-3-8(18-7(6)2)5-14-9-4-10(17-13)16-11(12)15-9/h3-4H,5,13H2,1-2H3,(H4,12,14,15,16,17).
What are the key properties of 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine?
4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine has a molecular weight of 264.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine is sourced from PubChem (CID 80931350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).