N-[5-[4-(4-methoxyphenyl)triazol-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine

C25H21N7O — CID 102443864

IUPACN-[5-[4-(4-methoxyphenyl)triazol-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCOc1ccc(-c2cn(-c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)nn2)cc1
InChIInChI=1S/C25H21N7O/c1-17-5-8-20(32-16-24(30-31-32)18-6-9-21(33-2)10-7-18)14-23(17)29-25-27-13-11-22(28-25)19-4-3-12-26-15-19/h3-16H,1-2H3,(H,27,28,29)
InChIKeyWGXKPVAAUCIFOU-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.85
Rot. Bonds6

About N-[5-[4-(4-methoxyphenyl)triazol-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine

N-[5-[4-(4-methoxyphenyl)triazol-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 102443864) has the molecular formula C25H21N7O and a molecular weight of 435.49 g/mol. Its IUPAC name is N-[5-[4-(4-methoxyphenyl)triazol-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[5-[4-(4-methoxyphenyl)triazol-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID102443864
Molecular FormulaC25H21N7O
Molecular Weight435.49 g/mol
Exact Mass435.18
IUPAC NameN-[5-[4-(4-methoxyphenyl)triazol-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCOc1ccc(-c2cn(-c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)nn2)cc1
InChIInChI=1S/C25H21N7O/c1-17-5-8-20(32-16-24(30-31-32)18-6-9-21(33-2)10-7-18)14-23(17)29-25-27-13-11-22(28-25)19-4-3-12-26-15-19/h3-16H,1-2H3,(H,27,28,29)
InChIKeyWGXKPVAAUCIFOU-UHFFFAOYSA-N
XLogP4.85
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-methyl-5-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]triazol-1-yl]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 56643500
3-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]pyridine
CID 156834081
4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonyl chloride
CID 87660156
2-(4-chlorophenoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 177190662
5-methoxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1H-indole-2-carboxamide
CID 59198189
N-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127040861
4-amino-5-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326877
3-[[4-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]-4-methylbenzoic acid
CID 59198021
4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole
CID 141476610
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 67214457
2-methyl-1-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]butan-1-one
CID 90891668
N-[5-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 141270433

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-methoxyphenyl)triazol-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[5-[4-(4-methoxyphenyl)triazol-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine (CID 102443864) is N-[5-[4-(4-methoxyphenyl)triazol-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[5-[4-(4-methoxyphenyl)triazol-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[5-[4-(4-methoxyphenyl)triazol-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine is COc1ccc(-c2cn(-c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)nn2)cc1.
What is the InChIKey of N-[5-[4-(4-methoxyphenyl)triazol-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is WGXKPVAAUCIFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O/c1-17-5-8-20(32-16-24(30-31-32)18-6-9-21(33-2)10-7-18)14-23(17)29-25-27-13-11-22(28-25)19-4-3-12-26-15-19/h3-16H,1-2H3,(H,27,28,29).
What are the key properties of N-[5-[4-(4-methoxyphenyl)triazol-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine?
N-[5-[4-(4-methoxyphenyl)triazol-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 435.49 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-methoxyphenyl)triazol-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 102443864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).