2-ethyl-5-pyrimidin-5-ylaniline

C12H13N3 — CID 165490184

IUPAC2-ethyl-5-pyrimidin-5-ylaniline
SMILESCCc1ccc(-c2cncnc2)cc1N
InChIInChI=1S/C12H13N3/c1-2-9-3-4-10(5-12(9)13)11-6-14-8-15-7-11/h3-8H,2,13H2,1H3
InChIKeyINKDMQQZZYIJER-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.29
Rot. Bonds2

About 2-ethyl-5-pyrimidin-5-ylaniline

2-ethyl-5-pyrimidin-5-ylaniline (PubChem CID 165490184) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-ethyl-5-pyrimidin-5-ylaniline.

Molecular Properties

Compound Name2-ethyl-5-pyrimidin-5-ylaniline
PubChem CID165490184
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-ethyl-5-pyrimidin-5-ylaniline
SMILESCCc1ccc(-c2cncnc2)cc1N
InChIInChI=1S/C12H13N3/c1-2-9-3-4-10(5-12(9)13)11-6-14-8-15-7-11/h3-8H,2,13H2,1H3
InChIKeyINKDMQQZZYIJER-UHFFFAOYSA-N
XLogP2.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Quinazoline
CID 9210
4-Phenylpyrimidine
CID 18923
6-Aminoquinazoline
CID 589288
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
5-Phenyl-2,4-pyrimidinediamine
CID 134761
Quinazolin-2-amine
CID 519332
8-(Pyrimidin-2-Ylamino)Naphthalene-2-Carboximidamide
CID 448610
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
4-(4-Phenylphenyl)pyrimidine
CID 817541
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
N-benzylpyrimidin-5-amine
CID 819920

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-pyrimidin-5-ylaniline?
The IUPAC name of 2-ethyl-5-pyrimidin-5-ylaniline (CID 165490184) is 2-ethyl-5-pyrimidin-5-ylaniline.
What is the SMILES notation for 2-ethyl-5-pyrimidin-5-ylaniline?
The canonical SMILES for 2-ethyl-5-pyrimidin-5-ylaniline is CCc1ccc(-c2cncnc2)cc1N.
What is the InChIKey of 2-ethyl-5-pyrimidin-5-ylaniline?
The InChIKey is INKDMQQZZYIJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-9-3-4-10(5-12(9)13)11-6-14-8-15-7-11/h3-8H,2,13H2,1H3.
What are the key properties of 2-ethyl-5-pyrimidin-5-ylaniline?
2-ethyl-5-pyrimidin-5-ylaniline has a molecular weight of 199.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-pyrimidin-5-ylaniline is sourced from PubChem (CID 165490184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).