2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylbenzonitrile

C12H10ClN5 — CID 107800146

IUPAC2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylbenzonitrile
SMILESCc1cccc(Nc2cc(Cl)nc(N)n2)c1C#N
InChIInChI=1S/C12H10ClN5/c1-7-3-2-4-9(8(7)6-14)16-11-5-10(13)17-12(15)18-11/h2-5H,1H3,(H3,15,16,17,18)
InChIKeyRWCDKLAGEZPLRR-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.64
Rot. Bonds2

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

2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylbenzonitrile (PubChem CID 107800146) has the molecular formula C12H10ClN5 and a molecular weight of 259.70 g/mol. Its IUPAC name is 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylbenzonitrile.

Molecular Properties

Compound Name2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylbenzonitrile
PubChem CID107800146
Molecular FormulaC12H10ClN5
Molecular Weight259.70 g/mol
Exact Mass259.06
IUPAC Name2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylbenzonitrile
SMILESCc1cccc(Nc2cc(Cl)nc(N)n2)c1C#N
InChIInChI=1S/C12H10ClN5/c1-7-3-2-4-9(8(7)6-14)16-11-5-10(13)17-12(15)18-11/h2-5H,1H3,(H3,15,16,17,18)
InChIKeyRWCDKLAGEZPLRR-UHFFFAOYSA-N
XLogP2.64
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 114002705
2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile
CID 107805463
2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107802085
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107801851
3-[(2-amino-6-chloropyrimidin-4-yl)amino]benzonitrile
CID 80734947
2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile
CID 107802103
3-chloro-6-(2-cyano-3-methylanilino)pyridine-2-carboxylic acid
CID 107799280
4-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 114250639
6-chloro-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine
CID 80735055
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile
CID 107800073
2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 114002700
2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 107805421

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylbenzonitrile?
The IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylbenzonitrile (CID 107800146) is 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylbenzonitrile.
What is the SMILES notation for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylbenzonitrile?
The canonical SMILES for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylbenzonitrile is Cc1cccc(Nc2cc(Cl)nc(N)n2)c1C#N.
What is the InChIKey of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylbenzonitrile?
The InChIKey is RWCDKLAGEZPLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5/c1-7-3-2-4-9(8(7)6-14)16-11-5-10(13)17-12(15)18-11/h2-5H,1H3,(H3,15,16,17,18).
What are the key properties of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylbenzonitrile?
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylbenzonitrile has a molecular weight of 259.70 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylbenzonitrile is sourced from PubChem (CID 107800146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).