4-(4,6-dimethyl-1,4-dihydropyrimidin-2-yl)morpholine

C10H17N3O — CID 173125912

IUPAC4-(4,6-dimethyl-1,4-dihydropyrimidin-2-yl)morpholine
SMILESCC1=CC(C)N=C(N2CCOCC2)N1
InChIInChI=1S/C10H17N3O/c1-8-7-9(2)12-10(11-8)13-3-5-14-6-4-13/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyJYXGDYLWYWQBPY-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.57
Rot. Bonds

About 4-(4,6-dimethyl-1,4-dihydropyrimidin-2-yl)morpholine

4-(4,6-dimethyl-1,4-dihydropyrimidin-2-yl)morpholine (PubChem CID 173125912) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(4,6-dimethyl-1,4-dihydropyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4,6-dimethyl-1,4-dihydropyrimidin-2-yl)morpholine
PubChem CID173125912
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(4,6-dimethyl-1,4-dihydropyrimidin-2-yl)morpholine
SMILESCC1=CC(C)N=C(N2CCOCC2)N1
InChIInChI=1S/C10H17N3O/c1-8-7-9(2)12-10(11-8)13-3-5-14-6-4-13/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyJYXGDYLWYWQBPY-UHFFFAOYSA-N
XLogP0.57
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethyl-1,4-dihydropyrimidin-2-yl)morpholine?
The IUPAC name of 4-(4,6-dimethyl-1,4-dihydropyrimidin-2-yl)morpholine (CID 173125912) is 4-(4,6-dimethyl-1,4-dihydropyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(4,6-dimethyl-1,4-dihydropyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(4,6-dimethyl-1,4-dihydropyrimidin-2-yl)morpholine is CC1=CC(C)N=C(N2CCOCC2)N1.
What is the InChIKey of 4-(4,6-dimethyl-1,4-dihydropyrimidin-2-yl)morpholine?
The InChIKey is JYXGDYLWYWQBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-7-9(2)12-10(11-8)13-3-5-14-6-4-13/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 4-(4,6-dimethyl-1,4-dihydropyrimidin-2-yl)morpholine?
4-(4,6-dimethyl-1,4-dihydropyrimidin-2-yl)morpholine has a molecular weight of 195.27 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethyl-1,4-dihydropyrimidin-2-yl)morpholine is sourced from PubChem (CID 173125912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).