2-[(6-amino-5-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile

C11H7Cl2N5 — CID 114049863

IUPAC2-[(6-amino-5-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile
SMILESN#Cc1ccc(Cl)cc1Nc1ncnc(N)c1Cl
InChIInChI=1S/C11H7Cl2N5/c12-7-2-1-6(4-14)8(3-7)18-11-9(13)10(15)16-5-17-11/h1-3,5H,(H3,15,16,17,18)
InChIKeyJUJJOPNAJUDGIQ-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.98
Rot. Bonds2

About 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile

2-[(6-amino-5-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile (PubChem CID 114049863) has the molecular formula C11H7Cl2N5 and a molecular weight of 280.12 g/mol. Its IUPAC name is 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile.

Molecular Properties

Compound Name2-[(6-amino-5-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile
PubChem CID114049863
Molecular FormulaC11H7Cl2N5
Molecular Weight280.12 g/mol
Exact Mass279.01
IUPAC Name2-[(6-amino-5-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile
SMILESN#Cc1ccc(Cl)cc1Nc1ncnc(N)c1Cl
InChIInChI=1S/C11H7Cl2N5/c12-7-2-1-6(4-14)8(3-7)18-11-9(13)10(15)16-5-17-11/h1-3,5H,(H3,15,16,17,18)
InChIKeyJUJJOPNAJUDGIQ-UHFFFAOYSA-N
XLogP2.98
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80840403
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80841839
2-[(5-aminopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 79918602
5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile
CID 103468593
2-[(6-aminopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80841289
5-chloro-4-N-(4-chloro-2-iodophenyl)pyrimidine-4,6-diamine
CID 114049909
2-[(3-amino-6-chloro-2-pyridinyl)amino]-4-chlorobenzonitrile
CID 115474241
2-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80841595
2-[(4-aminopyrimidin-2-yl)amino]-4-chlorobenzonitrile
CID 116796971
4-chloro-2-(2,5-dichloroanilino)benzonitrile
CID 55194781
4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile
CID 64916790
5-amino-2-(2,4-dichloroanilino)pyridine-3-carbonitrile
CID 54938417

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile?
The IUPAC name of 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile (CID 114049863) is 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile.
What is the SMILES notation for 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile?
The canonical SMILES for 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile is N#Cc1ccc(Cl)cc1Nc1ncnc(N)c1Cl.
What is the InChIKey of 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile?
The InChIKey is JUJJOPNAJUDGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N5/c12-7-2-1-6(4-14)8(3-7)18-11-9(13)10(15)16-5-17-11/h1-3,5H,(H3,15,16,17,18).
What are the key properties of 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile?
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile has a molecular weight of 280.12 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile is sourced from PubChem (CID 114049863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).