4-(2,6-dimethyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine

C13H17N3O — CID 58508103

IUPAC4-(2,6-dimethyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
SMILESCC1=Cc2nc(C)nc(N3CCOCC3)c2C1
InChIInChI=1S/C13H17N3O/c1-9-7-11-12(8-9)14-10(2)15-13(11)16-3-5-17-6-4-16/h8H,3-7H2,1-2H3
InChIKeyIKOISZXHNJWWKX-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.58
Rot. Bonds1

About 4-(2,6-dimethyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine

4-(2,6-dimethyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine (PubChem CID 58508103) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-(2,6-dimethyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2,6-dimethyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
PubChem CID58508103
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-(2,6-dimethyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
SMILESCC1=Cc2nc(C)nc(N3CCOCC3)c2C1
InChIInChI=1S/C13H17N3O/c1-9-7-11-12(8-9)14-10(2)15-13(11)16-3-5-17-6-4-16/h8H,3-7H2,1-2H3
InChIKeyIKOISZXHNJWWKX-UHFFFAOYSA-N
XLogP1.58
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2,6-dimethyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine (CID 58508103) is 4-(2,6-dimethyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2,6-dimethyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2,6-dimethyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine is CC1=Cc2nc(C)nc(N3CCOCC3)c2C1.
What is the InChIKey of 4-(2,6-dimethyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine?
The InChIKey is IKOISZXHNJWWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-7-11-12(8-9)14-10(2)15-13(11)16-3-5-17-6-4-16/h8H,3-7H2,1-2H3.
What are the key properties of 4-(2,6-dimethyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine?
4-(2,6-dimethyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine has a molecular weight of 231.30 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 58508103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).