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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Related Compounds

4-propan-2-yloxy-2-(6-pyrrolidin-1-ylpyrimidine-4-carboximidoyl)aniline
CID 123143355
4-[6-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]morpholine-2,2,3,3,5,5,6,6-octol
CID 144694597
1-[6-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]piperidin-4-ol
CID 123896610
(3R)-1-[6-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 144694465
2-[6-(3-methylsulfonylazetidin-1-yl)pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123922387
2-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 130372406
4-(1-methylcyclopropyl)oxy-2-(6-methylpyrimidine-4-carboximidoyl)aniline
CID 165137446
N-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]hydroxylamine
CID 144697614
2-(6-chloropyridazine-3-carboximidoyl)-4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]aniline
CID 170708740
4-(1-methylcyclopropyl)oxy-2-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboximidoyl]aniline
CID 123709189
molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline
CID 144697556
2-[1-methyl-5-[(2S)-2-methylmorpholin-4-yl]pyrazole-3-carboximidoyl]-4-propan-2-yloxyaniline
CID 144694333

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).