[3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]phenyl]methanol

C26H32N6O3 — CID 25014844

IUPAC[3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]phenyl]methanol
SMILESCN(c1cccc(CO)c1)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1
InChIInChI=1S/C26H32N6O3/c1-30(22-4-2-3-20(15-22)19-33)25-5-6-27-26(29-25)28-21-16-23(31-7-11-34-12-8-31)18-24(17-21)32-9-13-35-14-10-32/h2-6,15-18,33H,7-14,19H2,1H3,(H,27,28,29)
InChIKeyLWLYTBIEINCWJQ-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.15
Rot. Bonds7

About [3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]phenyl]methanol

[3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]phenyl]methanol (PubChem CID 25014844) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is [3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]phenyl]methanol
PubChem CID25014844
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name[3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]phenyl]methanol
SMILESCN(c1cccc(CO)c1)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1
InChIInChI=1S/C26H32N6O3/c1-30(22-4-2-3-20(15-22)19-33)25-5-6-27-26(29-25)28-21-16-23(31-7-11-34-12-8-31)18-24(17-21)32-9-13-35-14-10-32/h2-6,15-18,33H,7-14,19H2,1H3,(H,27,28,29)
InChIKeyLWLYTBIEINCWJQ-UHFFFAOYSA-N
XLogP3.15
TPSA86.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-5-methoxyphenyl]methanol
CID 25015026
[4-chloro-3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]phenyl]methanol
CID 69322619
[3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-4-fluorophenyl]methanol
CID 25015557
3-[[4-(3-chloro-N-methylanilino)pyrimidin-2-yl]amino]-N-ethyl-5-morpholin-4-ylbenzamide
CID 69321955
4-N-(2,3-dichlorophenyl)-2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 69090229
2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-(5-methyl-2-pyridinyl)pyrimidine-2,4-diamine
CID 42645951
2-[3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-4-methylphenyl]acetaldehyde
CID 87669436
4-N-methyl-4-N-phenyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112902075
4-N-(3-chloro-2,4-difluorophenyl)-4-N-methyl-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 25015407
benzenesulfonic acid;[3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]methylamino]-4-methylphenyl]methanol
CID 87689342
[3-[[4-[1,3-benzodioxol-4-yl(methyl)amino]pyrimidin-2-yl]amino]phenyl]methanol
CID 66931162
4-methyl-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 171509337

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]phenyl]methanol?
The IUPAC name of [3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]phenyl]methanol (CID 25014844) is [3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]phenyl]methanol.
What is the SMILES notation for [3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]phenyl]methanol?
The canonical SMILES for [3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]phenyl]methanol is CN(c1cccc(CO)c1)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1.
What is the InChIKey of [3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]phenyl]methanol?
The InChIKey is LWLYTBIEINCWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-30(22-4-2-3-20(15-22)19-33)25-5-6-27-26(29-25)28-21-16-23(31-7-11-34-12-8-31)18-24(17-21)32-9-13-35-14-10-32/h2-6,15-18,33H,7-14,19H2,1H3,(H,27,28,29).
What are the key properties of [3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]phenyl]methanol?
[3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]phenyl]methanol has a molecular weight of 476.58 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]phenyl]methanol is sourced from PubChem (CID 25014844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).