4-(7-pyridin-4-yl-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine

C19H19N7O — CID 59244245

IUPAC4-(7-pyridin-4-yl-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
SMILESc1cc(N2CCc3c(-c4cncnc4)nc(N4CCOCC4)nc32)ccn1
InChIInChI=1S/C19H19N7O/c1-4-20-5-2-15(1)26-6-3-16-17(14-11-21-13-22-12-14)23-19(24-18(16)26)25-7-9-27-10-8-25/h1-2,4-5,11-13H,3,6-10H2
InChIKeyRXWWJMGHOJYAPM-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.86
Rot. Bonds3

About 4-(7-pyridin-4-yl-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine

4-(7-pyridin-4-yl-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine (PubChem CID 59244245) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-(7-pyridin-4-yl-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(7-pyridin-4-yl-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
PubChem CID59244245
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name4-(7-pyridin-4-yl-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
SMILESc1cc(N2CCc3c(-c4cncnc4)nc(N4CCOCC4)nc32)ccn1
InChIInChI=1S/C19H19N7O/c1-4-20-5-2-15(1)26-6-3-16-17(14-11-21-13-22-12-14)23-19(24-18(16)26)25-7-9-27-10-8-25/h1-2,4-5,11-13H,3,6-10H2
InChIKeyRXWWJMGHOJYAPM-UHFFFAOYSA-N
XLogP1.86
TPSA80.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(7-pyridin-4-yl-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
The IUPAC name of 4-(7-pyridin-4-yl-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine (CID 59244245) is 4-(7-pyridin-4-yl-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(7-pyridin-4-yl-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(7-pyridin-4-yl-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine is c1cc(N2CCc3c(-c4cncnc4)nc(N4CCOCC4)nc32)ccn1.
What is the InChIKey of 4-(7-pyridin-4-yl-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
The InChIKey is RXWWJMGHOJYAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-4-20-5-2-15(1)26-6-3-16-17(14-11-21-13-22-12-14)23-19(24-18(16)26)25-7-9-27-10-8-25/h1-2,4-5,11-13H,3,6-10H2.
What are the key properties of 4-(7-pyridin-4-yl-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
4-(7-pyridin-4-yl-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine has a molecular weight of 361.41 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-pyridin-4-yl-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine is sourced from PubChem (CID 59244245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).