1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol

C26H33N5O3 — CID 118881238

IUPAC1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol
SMILESCNCC(O)COc1cccc(-c2nc(-c3ccncc3)c(C)c(N(C)C3CCOCC3)n2)c1
InChIInChI=1S/C26H33N5O3/c1-18-24(19-7-11-28-12-8-19)29-25(30-26(18)31(3)21-9-13-33-14-10-21)20-5-4-6-23(15-20)34-17-22(32)16-27-2/h4-8,11-12,15,21-22,27,32H,9-10,13-14,16-17H2,1-3H3
InChIKeyPDNSLNVOAQGUKL-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.09
Rot. Bonds9

About 1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol

1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol (PubChem CID 118881238) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol
PubChem CID118881238
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol
SMILESCNCC(O)COc1cccc(-c2nc(-c3ccncc3)c(C)c(N(C)C3CCOCC3)n2)c1
InChIInChI=1S/C26H33N5O3/c1-18-24(19-7-11-28-12-8-19)29-25(30-26(18)31(3)21-9-13-33-14-10-21)20-5-4-6-23(15-20)34-17-22(32)16-27-2/h4-8,11-12,15,21-22,27,32H,9-10,13-14,16-17H2,1-3H3
InChIKeyPDNSLNVOAQGUKL-UHFFFAOYSA-N
XLogP3.09
TPSA92.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol?
The IUPAC name of 1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol (CID 118881238) is 1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol?
The canonical SMILES for 1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol is CNCC(O)COc1cccc(-c2nc(-c3ccncc3)c(C)c(N(C)C3CCOCC3)n2)c1.
What is the InChIKey of 1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol?
The InChIKey is PDNSLNVOAQGUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-18-24(19-7-11-28-12-8-19)29-25(30-26(18)31(3)21-9-13-33-14-10-21)20-5-4-6-23(15-20)34-17-22(32)16-27-2/h4-8,11-12,15,21-22,27,32H,9-10,13-14,16-17H2,1-3H3.
What are the key properties of 1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol?
1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol has a molecular weight of 463.58 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 118881238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).