2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-6-methylbenzonitrile

C12H10ClN5O — CID 107800154

IUPAC2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-6-methylbenzonitrile
SMILESCOc1nc(Cl)nc(Nc2cccc(C)c2C#N)n1
InChIInChI=1S/C12H10ClN5O/c1-7-4-3-5-9(8(7)6-14)15-11-16-10(13)17-12(18-11)19-2/h3-5H,1-2H3,(H,15,16,17,18)
InChIKeyCRDVDKFQBZKAMN-UHFFFAOYSA-N
MW275.70 g/mol
LogP2.46
Rot. Bonds3

About 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-6-methylbenzonitrile

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-6-methylbenzonitrile (PubChem CID 107800154) has the molecular formula C12H10ClN5O and a molecular weight of 275.70 g/mol. Its IUPAC name is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-6-methylbenzonitrile.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-6-methylbenzonitrile
PubChem CID107800154
Molecular FormulaC12H10ClN5O
Molecular Weight275.70 g/mol
Exact Mass275.06
IUPAC Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-6-methylbenzonitrile
SMILESCOc1nc(Cl)nc(Nc2cccc(C)c2C#N)n1
InChIInChI=1S/C12H10ClN5O/c1-7-4-3-5-9(8(7)6-14)15-11-16-10(13)17-12(18-11)19-2/h3-5H,1-2H3,(H,15,16,17,18)
InChIKeyCRDVDKFQBZKAMN-UHFFFAOYSA-N
XLogP2.46
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-methoxy-N-naphthalen-1-yl-1,3,5-triazin-2-amine
CID 62858993
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 114002705
2-N,6-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyridine-2,6-diamine
CID 102286750
4-chloro-N-(4-chloro-2-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 114256288
4-chloro-6-methoxy-N-(2-methylsulfanylphenyl)-1,3,5-triazin-2-amine
CID 107645630
5-bromo-2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]benzonitrile
CID 82703911
N-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62859182
2-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 114002701
4-chloro-N-(4-chlorophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 14362435
2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 107805421
4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 82819504
2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile
CID 107802103

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-6-methylbenzonitrile?
The IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-6-methylbenzonitrile (CID 107800154) is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-6-methylbenzonitrile.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-6-methylbenzonitrile?
The canonical SMILES for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-6-methylbenzonitrile is COc1nc(Cl)nc(Nc2cccc(C)c2C#N)n1.
What is the InChIKey of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-6-methylbenzonitrile?
The InChIKey is CRDVDKFQBZKAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O/c1-7-4-3-5-9(8(7)6-14)15-11-16-10(13)17-12(18-11)19-2/h3-5H,1-2H3,(H,15,16,17,18).
What are the key properties of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-6-methylbenzonitrile?
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-6-methylbenzonitrile has a molecular weight of 275.70 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-6-methylbenzonitrile is sourced from PubChem (CID 107800154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).