6-chloro-5,7-dimethyl-N-[(4-phenylmethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C21H20ClN5O — CID 4014584

IUPAC6-chloro-5,7-dimethyl-N-[(4-phenylmethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1nc2nc(NCc3ccc(OCc4ccccc4)cc3)nn2c(C)c1Cl
InChIInChI=1S/C21H20ClN5O/c1-14-19(22)15(2)27-21(24-14)25-20(26-27)23-12-16-8-10-18(11-9-16)28-13-17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,23,26)
InChIKeyZIYNYKUNGPKJKK-UHFFFAOYSA-N
MW393.88 g/mol
LogP4.59
Rot. Bonds6

About 6-chloro-5,7-dimethyl-N-[(4-phenylmethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

6-chloro-5,7-dimethyl-N-[(4-phenylmethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 4014584) has the molecular formula C21H20ClN5O and a molecular weight of 393.88 g/mol. Its IUPAC name is 6-chloro-5,7-dimethyl-N-[(4-phenylmethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name6-chloro-5,7-dimethyl-N-[(4-phenylmethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID4014584
Molecular FormulaC21H20ClN5O
Molecular Weight393.88 g/mol
Exact Mass393.14
IUPAC Name6-chloro-5,7-dimethyl-N-[(4-phenylmethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1nc2nc(NCc3ccc(OCc4ccccc4)cc3)nn2c(C)c1Cl
InChIInChI=1S/C21H20ClN5O/c1-14-19(22)15(2)27-21(24-14)25-20(26-27)23-12-16-8-10-18(11-9-16)28-13-17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,23,26)
InChIKeyZIYNYKUNGPKJKK-UHFFFAOYSA-N
XLogP4.59
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-5,7-dimethyl-N-[(4-phenylmethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine with MolForge

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Related Compounds

6-chloro-5,7-dimethyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 3940076
1-phenyl-3-N-[(4-phenylmethoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine
CID 1287956
2-benzyl-6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 935590
4-methyl-2-[(4-phenylmethoxyphenyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 9149376
1-methyl-N-[(4-phenylmethoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969601
2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline
CID 113221978
4-[(4-phenylmethoxyanilino)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfinamide
CID 129173768
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-ethyl-N-[(4-phenylmethoxyphenyl)methyl]tetrazol-5-amine
CID 4727455
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799476
N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]acetamide
CID 22421272
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117506

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5,7-dimethyl-N-[(4-phenylmethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 6-chloro-5,7-dimethyl-N-[(4-phenylmethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 4014584) is 6-chloro-5,7-dimethyl-N-[(4-phenylmethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 6-chloro-5,7-dimethyl-N-[(4-phenylmethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 6-chloro-5,7-dimethyl-N-[(4-phenylmethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Cc1nc2nc(NCc3ccc(OCc4ccccc4)cc3)nn2c(C)c1Cl.
What is the InChIKey of 6-chloro-5,7-dimethyl-N-[(4-phenylmethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is ZIYNYKUNGPKJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O/c1-14-19(22)15(2)27-21(24-14)25-20(26-27)23-12-16-8-10-18(11-9-16)28-13-17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,23,26).
What are the key properties of 6-chloro-5,7-dimethyl-N-[(4-phenylmethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
6-chloro-5,7-dimethyl-N-[(4-phenylmethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 393.88 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5,7-dimethyl-N-[(4-phenylmethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 4014584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).