[3-[[2-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)amino]pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol

C25H32N8O3 — CID 25114553

IUPAC[3-[[2-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)amino]pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol
SMILESCc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)n1
InChIInChI=1S/C25H32N8O3/c1-18-3-4-19(17-34)15-20(18)31(2)22-5-6-26-24(29-22)27-21-16-23(32-7-11-35-12-8-32)30-25(28-21)33-9-13-36-14-10-33/h3-6,15-16,34H,7-14,17H2,1-2H3,(H,26,27,28,29,30)
InChIKeyYOYJOVLCPJZOQC-UHFFFAOYSA-N
MW492.58 g/mol
LogP2.25
Rot. Bonds7

About [3-[[2-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)amino]pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol

[3-[[2-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)amino]pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol (PubChem CID 25114553) has the molecular formula C25H32N8O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is [3-[[2-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)amino]pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol.

Molecular Properties

Compound Name[3-[[2-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)amino]pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol
PubChem CID25114553
Molecular FormulaC25H32N8O3
Molecular Weight492.58 g/mol
Exact Mass492.26
IUPAC Name[3-[[2-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)amino]pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol
SMILESCc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)n1
InChIInChI=1S/C25H32N8O3/c1-18-3-4-19(17-34)15-20(18)31(2)22-5-6-26-24(29-22)27-21-16-23(32-7-11-35-12-8-32)30-25(28-21)33-9-13-36-14-10-33/h3-6,15-16,34H,7-14,17H2,1-2H3,(H,26,27,28,29,30)
InChIKeyYOYJOVLCPJZOQC-UHFFFAOYSA-N
XLogP2.25
TPSA112.00 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze [3-[[2-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)amino]pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol with MolForge

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Launch Full Analysis

Related Compounds

[4-Methyl-3-[methyl-[2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]methanol
CID 25014511
(3-((2-(3,5-Dimorpholinophenylamino)pyrimidin-4-yl)(methyl)amino)-4-methylphenyl)methanol
CID 24894017
{4-Methyl-3-[(1-methylethyl)(2-{[3-(methylsulfonyl)-5-morpholin-4-ylphenyl]amino}pyrimidin-4-YL)amino]phenyl}methanol
CID 25014684
(3-((2-(3,5-Dimorpholinophenylamino)pyrimidin-4-yl)(methyl)amino)phenyl)methanol
CID 25014844
(3-(4-((5-(Hydroxymethyl)-2-methylphenyl)(methyl)amino)pyrimidin-2-ylamino)-5-morpholinophenyl)(morpholino)methanone
CID 25015412
(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
(4-Methyl-3-(methyl(2-(3-morpholino-5-(piperidin-1-yl)phenylamino)pyrimidin-4-yl)amino)phenyl)methanol
CID 25015694
(4-Methyl-3-(methyl(2-(3-morpholino-5-(morpholinomethyl)phenylamino)pyrimidin-4-yl)amino)phenyl)methanol
CID 25015695
(3-((2-(3,5-Dimorpholinophenylamino)pyrimidin-4-yl)(ethyl)amino)-4-methylphenyl)methanol
CID 54582972

Frequently Asked Questions

What is the IUPAC name of [3-[[2-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)amino]pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol?
The IUPAC name of [3-[[2-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)amino]pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol (CID 25114553) is [3-[[2-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)amino]pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol.
What is the SMILES notation for [3-[[2-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)amino]pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol?
The canonical SMILES for [3-[[2-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)amino]pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol is Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)n1.
What is the InChIKey of [3-[[2-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)amino]pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol?
The InChIKey is YOYJOVLCPJZOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O3/c1-18-3-4-19(17-34)15-20(18)31(2)22-5-6-26-24(29-22)27-21-16-23(32-7-11-35-12-8-32)30-25(28-21)33-9-13-36-14-10-33/h3-6,15-16,34H,7-14,17H2,1-2H3,(H,26,27,28,29,30).
What are the key properties of [3-[[2-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)amino]pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol?
[3-[[2-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)amino]pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol has a molecular weight of 492.58 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)amino]pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol is sourced from PubChem (CID 25114553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).