N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C24H26N6O — CID 60506213

IUPACN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(C(CNc2cc(-c3ccccc3)nc3ncnn23)N2CCOCC2)cc1
InChIInChI=1S/C24H26N6O/c1-18-7-9-20(10-8-18)22(29-11-13-31-14-12-29)16-25-23-15-21(19-5-3-2-4-6-19)28-24-26-17-27-30(23)24/h2-10,15,17,22,25H,11-14,16H2,1H3
InChIKeyZLRNOCWEYDCEHQ-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.59
Rot. Bonds6

About N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 60506213) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID60506213
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC NameN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(C(CNc2cc(-c3ccccc3)nc3ncnn23)N2CCOCC2)cc1
InChIInChI=1S/C24H26N6O/c1-18-7-9-20(10-8-18)22(29-11-13-31-14-12-29)16-25-23-15-21(19-5-3-2-4-6-19)28-24-26-17-27-30(23)24/h2-10,15,17,22,25H,11-14,16H2,1H3
InChIKeyZLRNOCWEYDCEHQ-UHFFFAOYSA-N
XLogP3.59
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17495949
5-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18125403
(2S)-3-methyl-1-morpholin-4-yl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-one
CID 96542349
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-benzothiazol-2-amine
CID 60506241
N,N-dimethyl-1-(4-methylphenyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 138988417
5-(4-methoxyphenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46094547
N-[(4-methylsulfanylphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133272102
N-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46097425
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191352
3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanenitrile
CID 167860301
N-(1,2-oxazol-5-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154752142
methyl 2-[4-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]acetate
CID 133287591

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 60506213) is N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1ccc(C(CNc2cc(-c3ccccc3)nc3ncnn23)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZLRNOCWEYDCEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-18-7-9-20(10-8-18)22(29-11-13-31-14-12-29)16-25-23-15-21(19-5-3-2-4-6-19)28-24-26-17-27-30(23)24/h2-10,15,17,22,25H,11-14,16H2,1H3.
What are the key properties of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 414.51 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 60506213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).