4-[2-(2-chloro-6-methylanilino)pyrimidin-4-yl]-N-(oxan-4-yl)-1,3,5-triazin-2-amine

C19H20ClN7O — CID 67389359

IUPAC4-[2-(2-chloro-6-methylanilino)pyrimidin-4-yl]-N-(oxan-4-yl)-1,3,5-triazin-2-amine
SMILESCc1cccc(Cl)c1Nc1nccc(-c2ncnc(NC3CCOCC3)n2)n1
InChIInChI=1S/C19H20ClN7O/c1-12-3-2-4-14(20)16(12)26-18-21-8-5-15(25-18)17-22-11-23-19(27-17)24-13-6-9-28-10-7-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,21,25,26)(H,22,23,24,27)
InChIKeyGEEJGXUFBXVCJB-UHFFFAOYSA-N
MW397.87 g/mol
LogP3.62
Rot. Bonds5

About 4-[2-(2-chloro-6-methylanilino)pyrimidin-4-yl]-N-(oxan-4-yl)-1,3,5-triazin-2-amine

4-[2-(2-chloro-6-methylanilino)pyrimidin-4-yl]-N-(oxan-4-yl)-1,3,5-triazin-2-amine (PubChem CID 67389359) has the molecular formula C19H20ClN7O and a molecular weight of 397.87 g/mol. Its IUPAC name is 4-[2-(2-chloro-6-methylanilino)pyrimidin-4-yl]-N-(oxan-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(2-chloro-6-methylanilino)pyrimidin-4-yl]-N-(oxan-4-yl)-1,3,5-triazin-2-amine
PubChem CID67389359
Molecular FormulaC19H20ClN7O
Molecular Weight397.87 g/mol
Exact Mass397.14
IUPAC Name4-[2-(2-chloro-6-methylanilino)pyrimidin-4-yl]-N-(oxan-4-yl)-1,3,5-triazin-2-amine
SMILESCc1cccc(Cl)c1Nc1nccc(-c2ncnc(NC3CCOCC3)n2)n1
InChIInChI=1S/C19H20ClN7O/c1-12-3-2-4-14(20)16(12)26-18-21-8-5-15(25-18)17-22-11-23-19(27-17)24-13-6-9-28-10-7-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,21,25,26)(H,22,23,24,27)
InChIKeyGEEJGXUFBXVCJB-UHFFFAOYSA-N
XLogP3.62
TPSA97.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-(2-chloro-6-methylanilino)pyrimidin-4-yl]-N-(oxan-2-yl)-1,3,5-triazin-2-amine
CID 91230119
4-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)pyrimidin-2-amine
CID 46988994
4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine
CID 112884209
4-[8-(2-chloro-6-methylanilino)-2-(oxan-4-ylamino)purin-9-yl]cyclohexane-1-carboxamide
CID 121254379
N-(oxan-4-yl)-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine
CID 170574382
4-[3-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(oxan-4-yl)pyrimidin-2-amine
CID 118216781
2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109297937
N-(oxan-4-yl)pyrimidin-2-amine;propane
CID 144986361
4-[3-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(oxan-4-yl)pyrimidin-2-amine
CID 118216698
4-[3-[(3-chloro-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(oxan-4-yl)pyrimidin-2-amine
CID 118216858
2-(2-chlorophenyl)-N-[2-cyano-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]phenyl]acetamide
CID 130204505
N-(2-chloro-6-methylphenyl)oxetan-3-amine
CID 66252135

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-6-methylanilino)pyrimidin-4-yl]-N-(oxan-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(2-chloro-6-methylanilino)pyrimidin-4-yl]-N-(oxan-4-yl)-1,3,5-triazin-2-amine (CID 67389359) is 4-[2-(2-chloro-6-methylanilino)pyrimidin-4-yl]-N-(oxan-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(2-chloro-6-methylanilino)pyrimidin-4-yl]-N-(oxan-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(2-chloro-6-methylanilino)pyrimidin-4-yl]-N-(oxan-4-yl)-1,3,5-triazin-2-amine is Cc1cccc(Cl)c1Nc1nccc(-c2ncnc(NC3CCOCC3)n2)n1.
What is the InChIKey of 4-[2-(2-chloro-6-methylanilino)pyrimidin-4-yl]-N-(oxan-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is GEEJGXUFBXVCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN7O/c1-12-3-2-4-14(20)16(12)26-18-21-8-5-15(25-18)17-22-11-23-19(27-17)24-13-6-9-28-10-7-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,21,25,26)(H,22,23,24,27).
What are the key properties of 4-[2-(2-chloro-6-methylanilino)pyrimidin-4-yl]-N-(oxan-4-yl)-1,3,5-triazin-2-amine?
4-[2-(2-chloro-6-methylanilino)pyrimidin-4-yl]-N-(oxan-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 397.87 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-6-methylanilino)pyrimidin-4-yl]-N-(oxan-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 67389359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).