N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine

C10H12ClN5S — CID 80897987

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine
SMILESCC(Nc1cc(NN)ncn1)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClN5S/c1-6(7-2-3-8(11)17-7)15-9-4-10(16-12)14-5-13-9/h2-6H,12H2,1H3,(H2,13,14,15,16)
InChIKeySNJNMHGXNYLPSA-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.65
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine (PubChem CID 80897987) has the molecular formula C10H12ClN5S and a molecular weight of 269.76 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine
PubChem CID80897987
Molecular FormulaC10H12ClN5S
Molecular Weight269.76 g/mol
Exact Mass269.05
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine
SMILESCC(Nc1cc(NN)ncn1)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClN5S/c1-6(7-2-3-8(11)17-7)15-9-4-10(16-12)14-5-13-9/h2-6H,12H2,1H3,(H2,13,14,15,16)
InChIKeySNJNMHGXNYLPSA-UHFFFAOYSA-N
XLogP2.65
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.65
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

N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80964990
2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine
CID 80653466
2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468919
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyridin-2-amine
CID 102761773
6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile
CID 55025215
N-[1-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80907705
3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine
CID 104540086
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methyl-4-nitropyridin-2-amine
CID 83267989
6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 80804014
5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468979
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43438966
7-[1-(5-chlorothiophen-2-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284468

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine (CID 80897987) is N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine is CC(Nc1cc(NN)ncn1)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine?
The InChIKey is SNJNMHGXNYLPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5S/c1-6(7-2-3-8(11)17-7)15-9-4-10(16-12)14-5-13-9/h2-6H,12H2,1H3,(H2,13,14,15,16).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine has a molecular weight of 269.76 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80897987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).