[4-amino-7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol

C20H27N5O3 — CID 177284257

IUPAC[4-amino-7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol
SMILESCOc1cc(N2CCOCC2)ccc1N1CC(C)(C)c2c(N)nc(CO)nc21
InChIInChI=1S/C20H27N5O3/c1-20(2)12-25(19-17(20)18(21)22-16(11-26)23-19)14-5-4-13(10-15(14)27-3)24-6-8-28-9-7-24/h4-5,10,26H,6-9,11-12H2,1-3H3,(H2,21,22,23)
InChIKeyXGDIACGUKVCDRE-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.83
Rot. Bonds4

About [4-amino-7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol

[4-amino-7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol (PubChem CID 177284257) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is [4-amino-7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-amino-7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol
PubChem CID177284257
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name[4-amino-7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol
SMILESCOc1cc(N2CCOCC2)ccc1N1CC(C)(C)c2c(N)nc(CO)nc21
InChIInChI=1S/C20H27N5O3/c1-20(2)12-25(19-17(20)18(21)22-16(11-26)23-19)14-5-4-13(10-15(14)27-3)24-6-8-28-9-7-24/h4-5,10,26H,6-9,11-12H2,1-3H3,(H2,21,22,23)
InChIKeyXGDIACGUKVCDRE-UHFFFAOYSA-N
XLogP1.83
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol
CID 177284631
4-[4-(2,4-dichloro-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-methoxyphenyl]morpholine
CID 175988892
[7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-(2,2,2-trifluoroethylamino)-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methyl (2R)-2-(trifluoromethyl)pyrrolidine-1-carboximidate
CID 177284421
4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 135200868
[7-(2-methoxy-4-morpholin-4-ylphenyl)-4-(methylamino)thieno[3,2-d]pyrimidin-2-yl]methanol
CID 175988852
4-(2,2-dimethylmorpholin-4-yl)-2-methoxyaniline
CID 63669991
1-(2-methoxy-5-morpholin-4-ylphenyl)cyclohexan-1-amine
CID 117469481
2-amino-1-(2-methoxy-5-morpholin-4-ylphenyl)ethanol
CID 117384184
2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-methoxy-4-morpholin-4-ylphenyl)-3H-1,2,4-triazole-3,5-diamine
CID 68888560
4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine
CID 174708451
4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid
CID 102942059
N-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine
CID 146864840

Frequently Asked Questions

What is the IUPAC name of [4-amino-7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol?
The IUPAC name of [4-amino-7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol (CID 177284257) is [4-amino-7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol.
What is the SMILES notation for [4-amino-7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol?
The canonical SMILES for [4-amino-7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol is COc1cc(N2CCOCC2)ccc1N1CC(C)(C)c2c(N)nc(CO)nc21.
What is the InChIKey of [4-amino-7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol?
The InChIKey is XGDIACGUKVCDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-20(2)12-25(19-17(20)18(21)22-16(11-26)23-19)14-5-4-13(10-15(14)27-3)24-6-8-28-9-7-24/h4-5,10,26H,6-9,11-12H2,1-3H3,(H2,21,22,23).
What are the key properties of [4-amino-7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol?
[4-amino-7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol has a molecular weight of 385.47 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol is sourced from PubChem (CID 177284257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).