N-[(E)-1-pyrimidin-2-ylethylideneamino]ethanamine

C8H12N4 — CID 169197447

IUPACN-[(E)-1-pyrimidin-2-ylethylideneamino]ethanamine
SMILESCCN/N=C(\C)c1ncccn1
InChIInChI=1S/C8H12N4/c1-3-11-12-7(2)8-9-5-4-6-10-8/h4-6,11H,3H2,1-2H3/b12-7+
InChIKeyOSOHQRXJXHHUNU-KPKJPENVSA-N
MW164.21 g/mol
LogP0.81
Rot. Bonds3

About N-[(E)-1-pyrimidin-2-ylethylideneamino]ethanamine

N-[(E)-1-pyrimidin-2-ylethylideneamino]ethanamine (PubChem CID 169197447) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is N-[(E)-1-pyrimidin-2-ylethylideneamino]ethanamine.

Molecular Properties

Compound NameN-[(E)-1-pyrimidin-2-ylethylideneamino]ethanamine
PubChem CID169197447
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC NameN-[(E)-1-pyrimidin-2-ylethylideneamino]ethanamine
SMILESCCN/N=C(\C)c1ncccn1
InChIInChI=1S/C8H12N4/c1-3-11-12-7(2)8-9-5-4-6-10-8/h4-6,11H,3H2,1-2H3/b12-7+
InChIKeyOSOHQRXJXHHUNU-KPKJPENVSA-N
XLogP0.81
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-pyrimidin-2-ylethylideneamino]pyrrolidine-1-carbothioamide
CID 5371251
[2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol
CID 173340240
copper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50910440
2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid
CID 165352086
1-ethyl-3-[[1-pyrimidin-2-yl-2-(2,2,2-trifluoroethylcarbamothioylhydrazinylidene)propylidene]amino]thiourea
CID 159644018
ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetate
CID 177496938
2-but-1-en-2-ylpyrimidine
CID 23105128
3-[[1-(diethylcarbamothioylhydrazinylidene)-1-pyrimidin-2-ylpropan-2-ylidene]amino]-1,1-diethylthiourea
CID 158465057
N'-(ethylamino)benzenecarboximidamide;hydroiodide
CID 143177355
N'-(pyrimidin-2-ylamino)propanimidamide
CID 140562434
3-methylidene-1-pyrimidin-2-ylpentan-1-one
CID 66045752
[2-(1-pyrazin-2-ylethylidene)hydrazinyl]methanethiol
CID 174674695

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-pyrimidin-2-ylethylideneamino]ethanamine?
The IUPAC name of N-[(E)-1-pyrimidin-2-ylethylideneamino]ethanamine (CID 169197447) is N-[(E)-1-pyrimidin-2-ylethylideneamino]ethanamine.
What is the SMILES notation for N-[(E)-1-pyrimidin-2-ylethylideneamino]ethanamine?
The canonical SMILES for N-[(E)-1-pyrimidin-2-ylethylideneamino]ethanamine is CCN/N=C(\C)c1ncccn1.
What is the InChIKey of N-[(E)-1-pyrimidin-2-ylethylideneamino]ethanamine?
The InChIKey is OSOHQRXJXHHUNU-KPKJPENVSA-N. The full InChI is InChI=1S/C8H12N4/c1-3-11-12-7(2)8-9-5-4-6-10-8/h4-6,11H,3H2,1-2H3/b12-7+.
What are the key properties of N-[(E)-1-pyrimidin-2-ylethylideneamino]ethanamine?
N-[(E)-1-pyrimidin-2-ylethylideneamino]ethanamine has a molecular weight of 164.21 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-pyrimidin-2-ylethylideneamino]ethanamine is sourced from PubChem (CID 169197447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).