N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine

C13H18ClN5S — CID 80964990

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(NN)cc(NC(C)c2ccc(Cl)s2)n1
InChIInChI=1S/C13H18ClN5S/c1-7(2)13-17-11(6-12(18-13)19-15)16-8(3)9-4-5-10(14)20-9/h4-8H,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyJMVWBMRHQQBNCM-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.77
Rot. Bonds5

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

N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80964990) has the molecular formula C13H18ClN5S and a molecular weight of 311.84 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80964990
Molecular FormulaC13H18ClN5S
Molecular Weight311.84 g/mol
Exact Mass311.10
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(NN)cc(NC(C)c2ccc(Cl)s2)n1
InChIInChI=1S/C13H18ClN5S/c1-7(2)13-17-11(6-12(18-13)19-15)16-8(3)9-4-5-10(14)20-9/h4-8H,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyJMVWBMRHQQBNCM-UHFFFAOYSA-N
XLogP3.77
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.77
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-hydrazinylpyrimidin-4-amine
CID 80897987
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyridin-2-amine
CID 102761773
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpyrimidine-4,6-diamine
CID 80961862
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80941712
4-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974797
2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine
CID 80653466
6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 80804014
N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80964999
2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468919
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43438966
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-ylaniline
CID 43381993
6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106390426

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine (CID 80964990) is N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(NN)cc(NC(C)c2ccc(Cl)s2)n1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is JMVWBMRHQQBNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5S/c1-7(2)13-17-11(6-12(18-13)19-15)16-8(3)9-4-5-10(14)20-9/h4-8H,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 311.84 g/mol, XLogP of 3.77, 5 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-hydrazinyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80964990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).