ethane;4-(7-phenyl-4-piperidin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine

C23H33N5O — CID 168923667

IUPACethane;4-(7-phenyl-4-piperidin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
SMILESCC.c1ccc(N2CCc3c(C4CCNCC4)nc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C21H27N5O.C2H6/c1-2-4-17(5-3-1)26-11-8-18-19(16-6-9-22-10-7-16)23-21(24-20(18)26)25-12-14-27-15-13-25;1-2/h1-5,16,22H,6-15H2;1-2H3
InChIKeyBKDQLOGYKLCTLB-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.50
Rot. Bonds3

About ethane;4-(7-phenyl-4-piperidin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine

ethane;4-(7-phenyl-4-piperidin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine (PubChem CID 168923667) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is ethane;4-(7-phenyl-4-piperidin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine.

Molecular Properties

Compound Nameethane;4-(7-phenyl-4-piperidin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
PubChem CID168923667
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Nameethane;4-(7-phenyl-4-piperidin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
SMILESCC.c1ccc(N2CCc3c(C4CCNCC4)nc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C21H27N5O.C2H6/c1-2-4-17(5-3-1)26-11-8-18-19(16-6-9-22-10-7-16)23-21(24-20(18)26)25-12-14-27-15-13-25;1-2/h1-5,16,22H,6-15H2;1-2H3
InChIKeyBKDQLOGYKLCTLB-UHFFFAOYSA-N
XLogP3.50
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(1-methylpyrrolidin-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 168923447
ethane;2-methyl-1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)propan-2-ol
CID 168923711
2-morpholin-4-yl-N-(oxetan-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine
CID 168923707
1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-one
CID 168923459
3-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24890625
3-(4-chloro-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)benzonitrile
CID 168923756
ethane;4-[2-(2-piperidin-4-ylpyrimidin-4-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 168922532
4-[4-(1H-benzimidazol-2-yl)-6-piperidin-4-ylpyrimidin-2-yl]morpholine
CID 154445366
4-(3-piperidin-4-ylphenyl)morpholine
CID 117368717
4-[4-(1H-indazol-7-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 71520868
4-[2-(6-piperidin-4-yl-2-pyridinyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 168922642
4-[9-methyl-8-pyridin-2-yl-2-(3-pyrrolidin-3-ylpyrazol-1-yl)purin-6-yl]morpholine
CID 168921313

Frequently Asked Questions

What is the IUPAC name of ethane;4-(7-phenyl-4-piperidin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
The IUPAC name of ethane;4-(7-phenyl-4-piperidin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine (CID 168923667) is ethane;4-(7-phenyl-4-piperidin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine.
What is the SMILES notation for ethane;4-(7-phenyl-4-piperidin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
The canonical SMILES for ethane;4-(7-phenyl-4-piperidin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine is CC.c1ccc(N2CCc3c(C4CCNCC4)nc(N4CCOCC4)nc32)cc1.
What is the InChIKey of ethane;4-(7-phenyl-4-piperidin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
The InChIKey is BKDQLOGYKLCTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O.C2H6/c1-2-4-17(5-3-1)26-11-8-18-19(16-6-9-22-10-7-16)23-21(24-20(18)26)25-12-14-27-15-13-25;1-2/h1-5,16,22H,6-15H2;1-2H3.
What are the key properties of ethane;4-(7-phenyl-4-piperidin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
ethane;4-(7-phenyl-4-piperidin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine has a molecular weight of 395.55 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(7-phenyl-4-piperidin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine is sourced from PubChem (CID 168923667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).