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

C12H18N4O — CID 59244839

IUPAC4-(4,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
SMILESCc1nc(N2CCOCC2)nc2c1CCN2C
InChIInChI=1S/C12H18N4O/c1-9-10-3-4-15(2)11(10)14-12(13-9)16-5-7-17-8-6-16/h3-8H2,1-2H3
InChIKeySFPPRXVHEYIDFJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.61
Rot. Bonds1

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

4-(4,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine (PubChem CID 59244839) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(4,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
PubChem CID59244839
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-(4,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
SMILESCc1nc(N2CCOCC2)nc2c1CCN2C
InChIInChI=1S/C12H18N4O/c1-9-10-3-4-15(2)11(10)14-12(13-9)16-5-7-17-8-6-16/h3-8H2,1-2H3
InChIKeySFPPRXVHEYIDFJ-UHFFFAOYSA-N
XLogP0.61
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
The IUPAC name of 4-(4,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine (CID 59244839) is 4-(4,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(4,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(4,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine is Cc1nc(N2CCOCC2)nc2c1CCN2C.
What is the InChIKey of 4-(4,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
The InChIKey is SFPPRXVHEYIDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-10-3-4-15(2)11(10)14-12(13-9)16-5-7-17-8-6-16/h3-8H2,1-2H3.
What are the key properties of 4-(4,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
4-(4,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine has a molecular weight of 234.30 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine is sourced from PubChem (CID 59244839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).