N-[2-(2-methoxyphenyl)propyl]-6-[2-(5-methyl-1,2,4-triazol-1-yl)-4-pyridinyl]pyrimidin-4-amine

C22H23N7O — CID 123375678

IUPACN-[2-(2-methoxyphenyl)propyl]-6-[2-(5-methyl-1,2,4-triazol-1-yl)-4-pyridinyl]pyrimidin-4-amine
SMILESCOc1ccccc1C(C)CNc1cc(-c2ccnc(-n3ncnc3C)c2)ncn1
InChIInChI=1S/C22H23N7O/c1-15(18-6-4-5-7-20(18)30-3)12-24-21-11-19(26-13-27-21)17-8-9-23-22(10-17)29-16(2)25-14-28-29/h4-11,13-15H,12H2,1-3H3,(H,24,26,27)
InChIKeyWFIZDMXPUJPZOA-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.65
Rot. Bonds7

About N-[2-(2-methoxyphenyl)propyl]-6-[2-(5-methyl-1,2,4-triazol-1-yl)-4-pyridinyl]pyrimidin-4-amine

N-[2-(2-methoxyphenyl)propyl]-6-[2-(5-methyl-1,2,4-triazol-1-yl)-4-pyridinyl]pyrimidin-4-amine (PubChem CID 123375678) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)propyl]-6-[2-(5-methyl-1,2,4-triazol-1-yl)-4-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)propyl]-6-[2-(5-methyl-1,2,4-triazol-1-yl)-4-pyridinyl]pyrimidin-4-amine
PubChem CID123375678
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC NameN-[2-(2-methoxyphenyl)propyl]-6-[2-(5-methyl-1,2,4-triazol-1-yl)-4-pyridinyl]pyrimidin-4-amine
SMILESCOc1ccccc1C(C)CNc1cc(-c2ccnc(-n3ncnc3C)c2)ncn1
InChIInChI=1S/C22H23N7O/c1-15(18-6-4-5-7-20(18)30-3)12-24-21-11-19(26-13-27-21)17-8-9-23-22(10-17)29-16(2)25-14-28-29/h4-11,13-15H,12H2,1-3H3,(H,24,26,27)
InChIKeyWFIZDMXPUJPZOA-UHFFFAOYSA-N
XLogP3.65
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(2-methoxyphenyl)propyl]-6-[2-(5-methyl-1,2,4-triazol-1-yl)-4-pyridinyl]pyrimidin-4-amine with MolForge

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Related Compounds

6-(2-fluoro-4-pyridinyl)-N-[(2S)-2-(2-methoxyphenyl)propyl]pyrimidin-4-amine
CID 73213572
N'-[4-[6-[[(2S)-2-(2-methoxyphenyl)propyl]amino]pyrimidin-4-yl]-2-pyridinyl]-N-methylethane-1,2-diamine
CID 118983343
6-(2-fluoro-4-pyridinyl)-N-[3-(2-methoxyphenyl)-2-methylbutyl]pyrimidin-4-amine
CID 123594938
N'-[5-[6-[[(2S)-2-(2-methoxyphenyl)propyl]amino]pyrimidin-4-yl]-3-pyridinyl]-N-methylethane-1,2-diamine
CID 121440702
2-[[5-[6-[2-(2-methoxyphenyl)propylamino]pyrimidin-4-yl]-2-pyridinyl]amino]propane-1,3-diol
CID 123881772
2-[[4-[6-[[3-(2-methoxyphenyl)-2,2-dimethylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol
CID 144832012
N-[2-(2-methoxyphenyl)propyl]-6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-amine
CID 123421438
(2S)-2-[[4-[6-[[2-ethyl-3-(2-methoxyphenyl)butyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol
CID 134288956
N-[2-(4,5-difluoro-2-methoxyphenyl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 73213576
6-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855280
3-methoxy-N-methyl-4-[1-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]propan-2-yl]benzamide
CID 123346436
2-[[5-[6-[[3-(2-methoxyphenyl)-2-methylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]acetonitrile
CID 123442941

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)propyl]-6-[2-(5-methyl-1,2,4-triazol-1-yl)-4-pyridinyl]pyrimidin-4-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)propyl]-6-[2-(5-methyl-1,2,4-triazol-1-yl)-4-pyridinyl]pyrimidin-4-amine (CID 123375678) is N-[2-(2-methoxyphenyl)propyl]-6-[2-(5-methyl-1,2,4-triazol-1-yl)-4-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)propyl]-6-[2-(5-methyl-1,2,4-triazol-1-yl)-4-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)propyl]-6-[2-(5-methyl-1,2,4-triazol-1-yl)-4-pyridinyl]pyrimidin-4-amine is COc1ccccc1C(C)CNc1cc(-c2ccnc(-n3ncnc3C)c2)ncn1.
What is the InChIKey of N-[2-(2-methoxyphenyl)propyl]-6-[2-(5-methyl-1,2,4-triazol-1-yl)-4-pyridinyl]pyrimidin-4-amine?
The InChIKey is WFIZDMXPUJPZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-15(18-6-4-5-7-20(18)30-3)12-24-21-11-19(26-13-27-21)17-8-9-23-22(10-17)29-16(2)25-14-28-29/h4-11,13-15H,12H2,1-3H3,(H,24,26,27).
What are the key properties of N-[2-(2-methoxyphenyl)propyl]-6-[2-(5-methyl-1,2,4-triazol-1-yl)-4-pyridinyl]pyrimidin-4-amine?
N-[2-(2-methoxyphenyl)propyl]-6-[2-(5-methyl-1,2,4-triazol-1-yl)-4-pyridinyl]pyrimidin-4-amine has a molecular weight of 401.47 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)propyl]-6-[2-(5-methyl-1,2,4-triazol-1-yl)-4-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 123375678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).