methanamine;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol

C25H40N6O4 — CID 145047409

IUPACmethanamine;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol
SMILESCN.CNCC(O)COc1cccc(-c2nc(N3CCOCC3)cc(N(C)C3CCOCC3)n2)c1
InChIInChI=1S/C24H35N5O4.CH5N/c1-25-16-20(30)17-33-21-5-3-4-18(14-21)24-26-22(28(2)19-6-10-31-11-7-19)15-23(27-24)29-8-12-32-13-9-29;1-2/h3-5,14-15,19-20,25,30H,6-13,16-17H2,1-2H3;2H2,1H3
InChIKeyVZUWSTXAOJDGLO-UHFFFAOYSA-N
MW488.63 g/mol
LogP1.13
Rot. Bonds9

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

methanamine;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol (PubChem CID 145047409) has the molecular formula C25H40N6O4 and a molecular weight of 488.63 g/mol. Its IUPAC name is methanamine;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol.

Molecular Properties

Compound Namemethanamine;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol
PubChem CID145047409
Molecular FormulaC25H40N6O4
Molecular Weight488.63 g/mol
Exact Mass488.31
IUPAC Namemethanamine;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol
SMILESCN.CNCC(O)COc1cccc(-c2nc(N3CCOCC3)cc(N(C)C3CCOCC3)n2)c1
InChIInChI=1S/C24H35N5O4.CH5N/c1-25-16-20(30)17-33-21-5-3-4-18(14-21)24-26-22(28(2)19-6-10-31-11-7-19)15-23(27-24)29-8-12-32-13-9-29;1-2/h3-5,14-15,19-20,25,30H,6-13,16-17H2,1-2H3;2H2,1H3
InChIKeyVZUWSTXAOJDGLO-UHFFFAOYSA-N
XLogP1.13
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

1-[3-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 118881217
1-(ethylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]propan-2-ol;methanamine;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol
CID 145048005
1-[3-[4-[cyclopropyl-[(3R)-oxolan-3-yl]amino]-6-morpholin-4-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 118881180
1-[3-[4-[4-(2,2-difluoroethyl)-3-methylidenepiperazin-1-yl]-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 144707991
1-[3-[4-cyclopropyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 85471637
1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-6-[(3S)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-yl]phenoxy]propan-2-ol
CID 118881297
1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-6-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]phenoxy]propan-2-ol
CID 118881249
methyl 6-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 118881191
1-[3-[4-[(Z)-2,3-dimethyl-1-sulfanylbut-1-enyl]-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(ethylamino)propan-2-ol
CID 144708203
1-[3-chloro-5-[4-cyclopropyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-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;1-(methylamino)-3-[3-[5-methyl-4-[[(3S)-oxolan-3-yl]amino]-6-piperidin-1-ylpyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-(oxan-4-ylamino)-6-piperidin-1-ylpyrimidin-2-yl]phenoxy]propan-2-ol
CID 159885299
2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N,N-dimethyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carboxamide
CID 118881275
1-[(2S)-4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[methyl-[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]-2-methylpiperazin-1-yl]ethanone
CID 118881187

Frequently Asked Questions

What is the IUPAC name of methanamine;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol?
The IUPAC name of methanamine;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol (CID 145047409) is methanamine;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol.
What is the SMILES notation for methanamine;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol?
The canonical SMILES for methanamine;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol is CN.CNCC(O)COc1cccc(-c2nc(N3CCOCC3)cc(N(C)C3CCOCC3)n2)c1.
What is the InChIKey of methanamine;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol?
The InChIKey is VZUWSTXAOJDGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O4.CH5N/c1-25-16-20(30)17-33-21-5-3-4-18(14-21)24-26-22(28(2)19-6-10-31-11-7-19)15-23(27-24)29-8-12-32-13-9-29;1-2/h3-5,14-15,19-20,25,30H,6-13,16-17H2,1-2H3;2H2,1H3.
What are the key properties of methanamine;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol?
methanamine;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol has a molecular weight of 488.63 g/mol, XLogP of 1.13, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 145047409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).