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

C20H22N8O — CID 59244567

IUPAC4-methyl-5-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine
SMILESCc1nc(N)ncc1-c1nc(N2CCOCC2)nc2c1CCN2c1cccnc1
InChIInChI=1S/C20H22N8O/c1-13-16(12-23-19(21)24-13)17-15-4-6-28(14-3-2-5-22-11-14)18(15)26-20(25-17)27-7-9-29-10-8-27/h2-3,5,11-12H,4,6-10H2,1H3,(H2,21,23,24)
InChIKeyBMWCRBOIKFWCIP-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.75
Rot. Bonds3

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

4-methyl-5-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine (PubChem CID 59244567) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is 4-methyl-5-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-5-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine
PubChem CID59244567
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name4-methyl-5-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine
SMILESCc1nc(N)ncc1-c1nc(N2CCOCC2)nc2c1CCN2c1cccnc1
InChIInChI=1S/C20H22N8O/c1-13-16(12-23-19(21)24-13)17-15-4-6-28(14-3-2-5-22-11-14)18(15)26-20(25-17)27-7-9-29-10-8-27/h2-3,5,11-12H,4,6-10H2,1H3,(H2,21,23,24)
InChIKeyBMWCRBOIKFWCIP-UHFFFAOYSA-N
XLogP1.75
TPSA106.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-methyl-5-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-5-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine (CID 59244567) is 4-methyl-5-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-5-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-5-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine is Cc1nc(N)ncc1-c1nc(N2CCOCC2)nc2c1CCN2c1cccnc1.
What is the InChIKey of 4-methyl-5-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine?
The InChIKey is BMWCRBOIKFWCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c1-13-16(12-23-19(21)24-13)17-15-4-6-28(14-3-2-5-22-11-14)18(15)26-20(25-17)27-7-9-29-10-8-27/h2-3,5,11-12H,4,6-10H2,1H3,(H2,21,23,24).
What are the key properties of 4-methyl-5-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine?
4-methyl-5-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine has a molecular weight of 390.45 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 59244567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).