2-(6-chloropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline

C14H15ClN4O — CID 166765017

IUPAC2-(6-chloropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline
SMILES[H]/N=C(\c1cc(Cl)ncn1)c1cc(OC(C)C)ccc1N
InChIInChI=1S/C14H15ClN4O/c1-8(2)20-9-3-4-11(16)10(5-9)14(17)12-6-13(15)19-7-18-12/h3-8,17H,16H2,1-2H3/b17-14-
InChIKeyGJMATLJRZVNSNB-VKAVYKQESA-N
MW290.75 g/mol
LogP2.92
Rot. Bonds4

About 2-(6-chloropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline

2-(6-chloropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline (PubChem CID 166765017) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-(6-chloropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name2-(6-chloropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline
PubChem CID166765017
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name2-(6-chloropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline
SMILES[H]/N=C(\c1cc(Cl)ncn1)c1cc(OC(C)C)ccc1N
InChIInChI=1S/C14H15ClN4O/c1-8(2)20-9-3-4-11(16)10(5-9)14(17)12-6-13(15)19-7-18-12/h3-8,17H,16H2,1-2H3/b17-14-
InChIKeyGJMATLJRZVNSNB-VKAVYKQESA-N
XLogP2.92
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline?
The IUPAC name of 2-(6-chloropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline (CID 166765017) is 2-(6-chloropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline.
What is the SMILES notation for 2-(6-chloropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline?
The canonical SMILES for 2-(6-chloropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline is [H]/N=C(\c1cc(Cl)ncn1)c1cc(OC(C)C)ccc1N.
What is the InChIKey of 2-(6-chloropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline?
The InChIKey is GJMATLJRZVNSNB-VKAVYKQESA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-8(2)20-9-3-4-11(16)10(5-9)14(17)12-6-13(15)19-7-18-12/h3-8,17H,16H2,1-2H3/b17-14-.
What are the key properties of 2-(6-chloropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline?
2-(6-chloropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline has a molecular weight of 290.75 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline is sourced from PubChem (CID 166765017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).