N-[2-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propylpyrimidin-4-amine

C13H18ClN5S — CID 106043791

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NCCc2ccc(Cl)s2)n1
InChIInChI=1S/C13H18ClN5S/c1-2-3-11-17-12(8-13(18-11)19-15)16-7-6-9-4-5-10(14)20-9/h4-5,8H,2-3,6-7,15H2,1H3,(H2,16,17,18,19)
InChIKeyXXZFWCWUTWXYHD-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.08
Rot. Bonds7

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

N-[2-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propylpyrimidin-4-amine (PubChem CID 106043791) has the molecular formula C13H18ClN5S and a molecular weight of 311.84 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propylpyrimidin-4-amine
PubChem CID106043791
Molecular FormulaC13H18ClN5S
Molecular Weight311.84 g/mol
Exact Mass311.10
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NCCc2ccc(Cl)s2)n1
InChIInChI=1S/C13H18ClN5S/c1-2-3-11-17-12(8-13(18-11)19-15)16-7-6-9-4-5-10(14)20-9/h4-5,8H,2-3,6-7,15H2,1H3,(H2,16,17,18,19)
InChIKeyXXZFWCWUTWXYHD-UHFFFAOYSA-N
XLogP3.08
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.08
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propylpyrimidin-4-amine (CID 106043791) is N-[2-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propylpyrimidin-4-amine is CCCc1nc(NN)cc(NCCc2ccc(Cl)s2)n1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propylpyrimidin-4-amine?
The InChIKey is XXZFWCWUTWXYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5S/c1-2-3-11-17-12(8-13(18-11)19-15)16-7-6-9-4-5-10(14)20-9/h4-5,8H,2-3,6-7,15H2,1H3,(H2,16,17,18,19).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propylpyrimidin-4-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propylpyrimidin-4-amine has a molecular weight of 311.84 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 106043791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).