ethane;2-methyl-1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)propan-2-ol

C22H32N4O2 — CID 168923711

IUPACethane;2-methyl-1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)propan-2-ol
SMILESCC.CC(C)(O)Cc1nc(N2CCOCC2)nc2c1CCN2c1ccccc1
InChIInChI=1S/C20H26N4O2.C2H6/c1-20(2,25)14-17-16-8-9-24(15-6-4-3-5-7-15)18(16)22-19(21-17)23-10-12-26-13-11-23;1-2/h3-7,25H,8-14H2,1-2H3;1-2H3
InChIKeyXVVDLHRLQBAOHE-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.35
Rot. Bonds4

About ethane;2-methyl-1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)propan-2-ol

ethane;2-methyl-1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)propan-2-ol (PubChem CID 168923711) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is ethane;2-methyl-1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)propan-2-ol.

Molecular Properties

Compound Nameethane;2-methyl-1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)propan-2-ol
PubChem CID168923711
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Nameethane;2-methyl-1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)propan-2-ol
SMILESCC.CC(C)(O)Cc1nc(N2CCOCC2)nc2c1CCN2c1ccccc1
InChIInChI=1S/C20H26N4O2.C2H6/c1-20(2,25)14-17-16-8-9-24(15-6-4-3-5-7-15)18(16)22-19(21-17)23-10-12-26-13-11-23;1-2/h3-7,25H,8-14H2,1-2H3;1-2H3
InChIKeyXVVDLHRLQBAOHE-UHFFFAOYSA-N
XLogP3.35
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;4-(7-phenyl-4-piperidin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
CID 168923667
3-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24890625
1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-one
CID 168923459
2-morpholin-4-yl-N-(oxetan-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine
CID 168923707
4-[4-(1-methylpyrrolidin-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 168923447
[3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanol
CID 59244893
4-[4-(1H-indazol-7-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 71520868
3-(4-chloro-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)benzonitrile
CID 168923756
N-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide
CID 59244650
methyl 3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]benzoate
CID 59244356
3-[7-(4-methylsulfonylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]aniline
CID 163802662
5-(2-morpholin-4-yl-4-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)pyrimidin-2-amine
CID 59244878

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)propan-2-ol?
The IUPAC name of ethane;2-methyl-1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)propan-2-ol (CID 168923711) is ethane;2-methyl-1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)propan-2-ol.
What is the SMILES notation for ethane;2-methyl-1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)propan-2-ol?
The canonical SMILES for ethane;2-methyl-1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)propan-2-ol is CC.CC(C)(O)Cc1nc(N2CCOCC2)nc2c1CCN2c1ccccc1.
What is the InChIKey of ethane;2-methyl-1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)propan-2-ol?
The InChIKey is XVVDLHRLQBAOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2.C2H6/c1-20(2,25)14-17-16-8-9-24(15-6-4-3-5-7-15)18(16)22-19(21-17)23-10-12-26-13-11-23;1-2/h3-7,25H,8-14H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)propan-2-ol?
ethane;2-methyl-1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)propan-2-ol has a molecular weight of 384.52 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)propan-2-ol is sourced from PubChem (CID 168923711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).