5-ethyl-6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine

C13H19N5O — CID 80897021

IUPAC5-ethyl-6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
SMILESCCc1c(NN)ncnc1NC(C)c1ccc(C)o1
InChIInChI=1S/C13H19N5O/c1-4-10-12(15-7-16-13(10)18-14)17-9(3)11-6-5-8(2)19-11/h5-7,9H,4,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyOBFRGKJRISPPDZ-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.40
Rot. Bonds5

About 5-ethyl-6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine

5-ethyl-6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 80897021) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-ethyl-6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
PubChem CID80897021
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-ethyl-6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
SMILESCCc1c(NN)ncnc1NC(C)c1ccc(C)o1
InChIInChI=1S/C13H19N5O/c1-4-10-12(15-7-16-13(10)18-14)17-9(3)11-6-5-8(2)19-11/h5-7,9H,4,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyOBFRGKJRISPPDZ-UHFFFAOYSA-N
XLogP2.40
TPSA89.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.40
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

6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-propylpyrimidin-4-amine
CID 80897937
6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80800701
5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 80924266
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 99809761
5-ethyl-6-hydrazinyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
CID 80918531
5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine
CID 80918079
2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80897748
6-methoxy-5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
CID 66327670
6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-5-propylpyrimidin-4-amine
CID 80901929
5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
CID 80900314
1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol
CID 80906559
6-N-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyrimidine-4,6-diamine
CID 112726541

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine (CID 80897021) is 5-ethyl-6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine is CCc1c(NN)ncnc1NC(C)c1ccc(C)o1.
What is the InChIKey of 5-ethyl-6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is OBFRGKJRISPPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-10-12(15-7-16-13(10)18-14)17-9(3)11-6-5-8(2)19-11/h5-7,9H,4,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 5-ethyl-6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine?
5-ethyl-6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 80897021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).