(E)-N-ethyl-4-pyrimidin-4-ylbut-3-en-2-amine

C10H15N3 — CID 103092380

IUPAC(E)-N-ethyl-4-pyrimidin-4-ylbut-3-en-2-amine
SMILESCCNC(C)/C=C/c1ccncn1
InChIInChI=1S/C10H15N3/c1-3-12-9(2)4-5-10-6-7-11-8-13-10/h4-9,12H,3H2,1-2H3/b5-4+
InChIKeyGXHBWZWIULNXHY-SNAWJCMRSA-N
MW177.25 g/mol
LogP1.49
Rot. Bonds4

About (E)-N-ethyl-4-pyrimidin-4-ylbut-3-en-2-amine

(E)-N-ethyl-4-pyrimidin-4-ylbut-3-en-2-amine (PubChem CID 103092380) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (E)-N-ethyl-4-pyrimidin-4-ylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-N-ethyl-4-pyrimidin-4-ylbut-3-en-2-amine
PubChem CID103092380
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(E)-N-ethyl-4-pyrimidin-4-ylbut-3-en-2-amine
SMILESCCNC(C)/C=C/c1ccncn1
InChIInChI=1S/C10H15N3/c1-3-12-9(2)4-5-10-6-7-11-8-13-10/h4-9,12H,3H2,1-2H3/b5-4+
InChIKeyGXHBWZWIULNXHY-SNAWJCMRSA-N
XLogP1.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methyl-3-pyrimidin-4-ylpentan-2-amine
CID 63198027
N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine
CID 63990208
N,N-diethyl-5-[(E)-3-(ethylamino)but-1-enyl]-1,3-thiazol-2-amine
CID 103092329
(E)-4-(4,5-dibromothiophen-2-yl)-N-ethylbut-3-en-2-amine
CID 103092444
N-ethyl-3,3-dimethyl-1-pyrimidin-4-ylbutan-2-amine
CID 63198618
4-ethenylpyrimidine
CID 10285785
4-(2,2-dibromoethenyl)pyrimidine
CID 130532154
(E)-4-(3-cyclopropylimidazol-4-yl)-N-ethylbut-3-en-2-amine
CID 103092403
4-[2-(3,5-dimethyl-1-propylpyrazol-4-yl)ethenyl]pyrimidine
CID 126826956
ethane;N-ethylpyrimidin-4-amine
CID 167491074
N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 63987713
N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 63988973

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-4-pyrimidin-4-ylbut-3-en-2-amine?
The IUPAC name of (E)-N-ethyl-4-pyrimidin-4-ylbut-3-en-2-amine (CID 103092380) is (E)-N-ethyl-4-pyrimidin-4-ylbut-3-en-2-amine.
What is the SMILES notation for (E)-N-ethyl-4-pyrimidin-4-ylbut-3-en-2-amine?
The canonical SMILES for (E)-N-ethyl-4-pyrimidin-4-ylbut-3-en-2-amine is CCNC(C)/C=C/c1ccncn1.
What is the InChIKey of (E)-N-ethyl-4-pyrimidin-4-ylbut-3-en-2-amine?
The InChIKey is GXHBWZWIULNXHY-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-12-9(2)4-5-10-6-7-11-8-13-10/h4-9,12H,3H2,1-2H3/b5-4+.
What are the key properties of (E)-N-ethyl-4-pyrimidin-4-ylbut-3-en-2-amine?
(E)-N-ethyl-4-pyrimidin-4-ylbut-3-en-2-amine has a molecular weight of 177.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-4-pyrimidin-4-ylbut-3-en-2-amine is sourced from PubChem (CID 103092380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).