4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine

C25H27N7O3 — CID 90417124

IUPAC4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine
SMILESCOc1nc(NC2CCOCC2)ncc1-c1ccc(Oc2ccnc(-c3cnn(C)c3)c2)c(C)n1
InChIInChI=1S/C25H27N7O3/c1-16-23(35-19-6-9-26-22(12-19)17-13-28-32(2)15-17)5-4-21(29-16)20-14-27-25(31-24(20)33-3)30-18-7-10-34-11-8-18/h4-6,9,12-15,18H,7-8,10-11H2,1-3H3,(H,27,30,31)
InChIKeyPLEOHSHDUMNAEC-UHFFFAOYSA-N
MW473.54 g/mol
LogP4.03
Rot. Bonds7

About 4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine

4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine (PubChem CID 90417124) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is 4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine
PubChem CID90417124
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC Name4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine
SMILESCOc1nc(NC2CCOCC2)ncc1-c1ccc(Oc2ccnc(-c3cnn(C)c3)c2)c(C)n1
InChIInChI=1S/C25H27N7O3/c1-16-23(35-19-6-9-26-22(12-19)17-13-28-32(2)15-17)5-4-21(29-16)20-14-27-25(31-24(20)33-3)30-18-7-10-34-11-8-18/h4-6,9,12-15,18H,7-8,10-11H2,1-3H3,(H,27,30,31)
InChIKeyPLEOHSHDUMNAEC-UHFFFAOYSA-N
XLogP4.03
TPSA109.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine (CID 90417124) is 4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine is COc1nc(NC2CCOCC2)ncc1-c1ccc(Oc2ccnc(-c3cnn(C)c3)c2)c(C)n1.
What is the InChIKey of 4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine?
The InChIKey is PLEOHSHDUMNAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-16-23(35-19-6-9-26-22(12-19)17-13-28-32(2)15-17)5-4-21(29-16)20-14-27-25(31-24(20)33-3)30-18-7-10-34-11-8-18/h4-6,9,12-15,18H,7-8,10-11H2,1-3H3,(H,27,30,31).
What are the key properties of 4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine?
4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine has a molecular weight of 473.54 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 90417124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).