4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine

C16H16N4O — CID 72706517

IUPAC4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
SMILESc1ccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)cc1
InChIInChI=1S/C16H16N4O/c1-2-4-12(5-3-1)13-10-17-15-14(13)16(19-11-18-15)20-6-8-21-9-7-20/h1-5,10-11H,6-9H2,(H,17,18,19)
InChIKeyMUOUHNBOXJIELS-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.46
Rot. Bonds2

About 4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine

4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine (PubChem CID 72706517) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
PubChem CID72706517
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
SMILESc1ccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)cc1
InChIInChI=1S/C16H16N4O/c1-2-4-12(5-3-1)13-10-17-15-14(13)16(19-11-18-15)20-6-8-21-9-7-20/h1-5,10-11H,6-9H2,(H,17,18,19)
InChIKeyMUOUHNBOXJIELS-UHFFFAOYSA-N
XLogP2.46
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Rolodine
CID 5359646
5-(1H-pyrrolo(2,3-b)pyridin-3-ylmethyl)-N-((4-(trifluoromethyl)phenyl)methyl)pyridin-2-amine
CID 11545419
PF-06454589
CID 72706837
PF-06447475
CID 72706840
5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135283800
1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine
CID 44129608
5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 10537176
4-(1H-Pyrrolo[2,3-B]pyridin-3-YL)pyrimidin-2-amine
CID 11637090
Prosetin
CID 154677753
1-methyl-4-(4-morpholin-4-yl-7H-pyrrolo(2,3-d)pyrimidin-5-yl)pyrrole-2-carbonitrile
CID 89915073
Pyrrolopyrimidine, 13h
CID 11996315
Pyrrolopyrimidine, 13a
CID 11996316

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine (CID 72706517) is 4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine is c1ccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)cc1.
What is the InChIKey of 4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine?
The InChIKey is MUOUHNBOXJIELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-4-12(5-3-1)13-10-17-15-14(13)16(19-11-18-15)20-6-8-21-9-7-20/h1-5,10-11H,6-9H2,(H,17,18,19).
What are the key properties of 4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine?
4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine has a molecular weight of 280.33 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 72706517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).