1-[3-[4-cyclopropyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]-5-methoxyphenoxy]-3-(methylamino)propan-2-ol

C24H34N4O4 — CID 85471896

IUPAC1-[3-[4-cyclopropyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]-5-methoxyphenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cc(OC)cc(-c2nc(C3CC3)cc(N(C)C3CCOCC3)n2)c1
InChIInChI=1S/C24H34N4O4/c1-25-14-19(29)15-32-21-11-17(10-20(12-21)30-3)24-26-22(16-4-5-16)13-23(27-24)28(2)18-6-8-31-9-7-18/h10-13,16,18-19,25,29H,4-9,14-15H2,1-3H3
InChIKeyGWZNHQSANYSLOD-UHFFFAOYSA-N
MW442.56 g/mol
LogP2.60
Rot. Bonds10

About 1-[3-[4-cyclopropyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]-5-methoxyphenoxy]-3-(methylamino)propan-2-ol

1-[3-[4-cyclopropyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]-5-methoxyphenoxy]-3-(methylamino)propan-2-ol (PubChem CID 85471896) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-[3-[4-cyclopropyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]-5-methoxyphenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-[3-[4-cyclopropyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]-5-methoxyphenoxy]-3-(methylamino)propan-2-ol
PubChem CID85471896
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name1-[3-[4-cyclopropyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]-5-methoxyphenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cc(OC)cc(-c2nc(C3CC3)cc(N(C)C3CCOCC3)n2)c1
InChIInChI=1S/C24H34N4O4/c1-25-14-19(29)15-32-21-11-17(10-20(12-21)30-3)24-26-22(16-4-5-16)13-23(27-24)28(2)18-6-8-31-9-7-18/h10-13,16,18-19,25,29H,4-9,14-15H2,1-3H3
InChIKeyGWZNHQSANYSLOD-UHFFFAOYSA-N
XLogP2.60
TPSA88.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[3-[4-cyclopropyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]-5-methoxyphenoxy]-3-(methylamino)propan-2-ol with MolForge

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Related Compounds

4-N-cyclohexyl-6-methyl-2-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 46226004
US10633389, Example 67-1
CID 85472932
US10633389, Example 458-1a
CID 90453869
US10633389, Example 500-1a
CID 118881208
US10633389, Example 518-1a
CID 118881217
US10633389, Example 578-1a
CID 118881281
US10633389, Example 586-1a
CID 118881288
US10633389, Example 594-1a
CID 118881297
US10633389, Example 596-1a
CID 118881298
US10633389, Example 595-1a
CID 118881299
US10633389, Example 613-1a
CID 118881317
US10633389, Example 471-1a
CID 118883417

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-cyclopropyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]-5-methoxyphenoxy]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[3-[4-cyclopropyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]-5-methoxyphenoxy]-3-(methylamino)propan-2-ol (CID 85471896) is 1-[3-[4-cyclopropyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]-5-methoxyphenoxy]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[3-[4-cyclopropyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]-5-methoxyphenoxy]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[3-[4-cyclopropyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]-5-methoxyphenoxy]-3-(methylamino)propan-2-ol is CNCC(O)COc1cc(OC)cc(-c2nc(C3CC3)cc(N(C)C3CCOCC3)n2)c1.
What is the InChIKey of 1-[3-[4-cyclopropyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]-5-methoxyphenoxy]-3-(methylamino)propan-2-ol?
The InChIKey is GWZNHQSANYSLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-25-14-19(29)15-32-21-11-17(10-20(12-21)30-3)24-26-22(16-4-5-16)13-23(27-24)28(2)18-6-8-31-9-7-18/h10-13,16,18-19,25,29H,4-9,14-15H2,1-3H3.
What are the key properties of 1-[3-[4-cyclopropyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]-5-methoxyphenoxy]-3-(methylamino)propan-2-ol?
1-[3-[4-cyclopropyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]-5-methoxyphenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 442.56 g/mol, XLogP of 2.60, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-cyclopropyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]-5-methoxyphenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 85471896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).