[3-[[2-(3-methoxy-5-morpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol

C24H29N5O3 — CID 25014596

IUPAC[3-[[2-(3-methoxy-5-morpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol
SMILESCOc1cc(Nc2nccc(N(C)c3cc(CO)ccc3C)n2)cc(N2CCOCC2)c1
InChIInChI=1S/C24H29N5O3/c1-17-4-5-18(16-30)12-22(17)28(2)23-6-7-25-24(27-23)26-19-13-20(15-21(14-19)31-3)29-8-10-32-11-9-29/h4-7,12-15,30H,8-11,16H2,1-3H3,(H,25,26,27)
InChIKeyWRFJDMAYWYYANT-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.63
Rot. Bonds7

About [3-[[2-(3-methoxy-5-morpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol

[3-[[2-(3-methoxy-5-morpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol (PubChem CID 25014596) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is [3-[[2-(3-methoxy-5-morpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol.

Molecular Properties

Compound Name[3-[[2-(3-methoxy-5-morpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol
PubChem CID25014596
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name[3-[[2-(3-methoxy-5-morpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol
SMILESCOc1cc(Nc2nccc(N(C)c3cc(CO)ccc3C)n2)cc(N2CCOCC2)c1
InChIInChI=1S/C24H29N5O3/c1-17-4-5-18(16-30)12-22(17)28(2)23-6-7-25-24(27-23)26-19-13-20(15-21(14-19)31-3)29-8-10-32-11-9-29/h4-7,12-15,30H,8-11,16H2,1-3H3,(H,25,26,27)
InChIKeyWRFJDMAYWYYANT-UHFFFAOYSA-N
XLogP3.63
TPSA82.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(3-((2-(3,5-Dimorpholinophenylamino)pyrimidin-4-yl)(methyl)amino)-4-methylphenyl)methanol
CID 24894017
2,4-Bis anilino pyrimidine deriv. 12
CID 6538995
N~6~-(3,4-Dimethoxyphenyl)-2-(Morpholin-4-Yl)-4,5'-Bipyrimidine-2',6-Diamine
CID 59507470
(3-((2-(3-(2-Methoxyethoxy)-5-morpholinophenylamino)pyrimidin-4-yl)(methyl)amino)-4-methylphenyl)methanol
CID 25014598
(3-((2-(3,5-Dimorpholinophenylamino)pyrimidin-4-yl)(methyl)amino)phenyl)methanol
CID 25014844
(3-((2-(3,5-Dimorpholinophenylamino)pyrimidin-4-yl)(methyl)amino)-5-methoxyphenyl)methanol
CID 25015026
N2-(3,5-dimorpholinophenyl)-N4-(5-methoxy-2-methylphenyl)-N4-methylpyrimidine-2,4-diamine
CID 25015107
(4-methyl-3-(methyl(2-(3-morpholino-5-(tetrahydro-2H-pyran-4-yloxy)phenylamino)pyrimidin-4-yl)amino)phenyl)methanol
CID 25015411
(3-((2-(3,5-Dimorpholinophenylamino)pyrimidin-4-yl)(2-methoxyethyl)amino)-4-methylphenyl)methanol
CID 25015556
(4-Methyl-3-(methyl(2-(3-morpholino-5-(1,4-oxazepan-4-yl)phenylamino)pyrimidin-4-yl)amino)phenyl)methanol
CID 25015691
(4-Methyl-3-(methyl(2-(3-(4-methylpiperazin-1-yl)-5-morpholinophenylamino)pyrimidin-4-yl)amino)phenyl)methanol
CID 25015692
(4-Methyl-3-(methyl(2-(3-morpholino-5-(pyrrolidin-1-yl)phenylamino)pyrimidin-4-yl)amino)phenyl)methanol
CID 25015693

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(3-methoxy-5-morpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol?
The IUPAC name of [3-[[2-(3-methoxy-5-morpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol (CID 25014596) is [3-[[2-(3-methoxy-5-morpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol.
What is the SMILES notation for [3-[[2-(3-methoxy-5-morpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol?
The canonical SMILES for [3-[[2-(3-methoxy-5-morpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol is COc1cc(Nc2nccc(N(C)c3cc(CO)ccc3C)n2)cc(N2CCOCC2)c1.
What is the InChIKey of [3-[[2-(3-methoxy-5-morpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol?
The InChIKey is WRFJDMAYWYYANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-17-4-5-18(16-30)12-22(17)28(2)23-6-7-25-24(27-23)26-19-13-20(15-21(14-19)31-3)29-8-10-32-11-9-29/h4-7,12-15,30H,8-11,16H2,1-3H3,(H,25,26,27).
What are the key properties of [3-[[2-(3-methoxy-5-morpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol?
[3-[[2-(3-methoxy-5-morpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol has a molecular weight of 435.53 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(3-methoxy-5-morpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol is sourced from PubChem (CID 25014596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).