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

C27H34N6O4 — CID 25015026

IUPAC[3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1
InChIInChI=1S/C27H34N6O4/c1-31(22-13-20(19-34)14-25(18-22)35-2)26-3-4-28-27(30-26)29-21-15-23(32-5-9-36-10-6-32)17-24(16-21)33-7-11-37-12-8-33/h3-4,13-18,34H,5-12,19H2,1-2H3,(H,28,29,30)
InChIKeyLGYDLRSRBICQTP-UHFFFAOYSA-N
MW506.61 g/mol
LogP3.16
Rot. Bonds8

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

[3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-5-methoxyphenyl]methanol (PubChem CID 25015026) has the molecular formula C27H34N6O4 and a molecular weight of 506.61 g/mol. Its IUPAC name is [3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-5-methoxyphenyl]methanol
PubChem CID25015026
Molecular FormulaC27H34N6O4
Molecular Weight506.61 g/mol
Exact Mass506.26
IUPAC Name[3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1
InChIInChI=1S/C27H34N6O4/c1-31(22-13-20(19-34)14-25(18-22)35-2)26-3-4-28-27(30-26)29-21-15-23(32-5-9-36-10-6-32)17-24(16-21)33-7-11-37-12-8-33/h3-4,13-18,34H,5-12,19H2,1-2H3,(H,28,29,30)
InChIKeyLGYDLRSRBICQTP-UHFFFAOYSA-N
XLogP3.16
TPSA95.45 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.61
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

[3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]phenyl]methanol
CID 25014844
[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
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-(2,3-dichlorophenyl)-2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 69090229
3-[[4-(3-chloro-N-methylanilino)pyrimidin-2-yl]amino]-N-ethyl-5-morpholin-4-ylbenzamide
CID 69321955
4-N-(5-methoxy-2-methylphenyl)-4-N-methyl-2-N-[2-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-4-pyridinyl]pyrimidine-2,4-diamine
CID 25147518
[2-chloro-5-[[2-[N-[(4-methoxyphenyl)methyl]-3,5-dimorpholin-4-ylanilino]pyrimidin-4-yl]-methylamino]-6-methyl-3-pyridinyl]methanol
CID 86628071
benzenesulfonic acid;[3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]methylamino]-4-methylphenyl]methanol
CID 87689342
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

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-5-methoxyphenyl]methanol?
The IUPAC name of [3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-5-methoxyphenyl]methanol (CID 25015026) is [3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-5-methoxyphenyl]methanol.
What is the SMILES notation for [3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-5-methoxyphenyl]methanol?
The canonical SMILES for [3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-5-methoxyphenyl]methanol is COc1cc(CO)cc(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1.
What is the InChIKey of [3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-5-methoxyphenyl]methanol?
The InChIKey is LGYDLRSRBICQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O4/c1-31(22-13-20(19-34)14-25(18-22)35-2)26-3-4-28-27(30-26)29-21-15-23(32-5-9-36-10-6-32)17-24(16-21)33-7-11-37-12-8-33/h3-4,13-18,34H,5-12,19H2,1-2H3,(H,28,29,30).
What are the key properties of [3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-5-methoxyphenyl]methanol?
[3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-5-methoxyphenyl]methanol has a molecular weight of 506.61 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-5-methoxyphenyl]methanol is sourced from PubChem (CID 25015026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).