4-(2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine

C13H19N3O — CID 171704070

IUPAC4-(2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine
SMILESCC1CN(c2ccnc(C3CC3)n2)CC(C)O1
InChIInChI=1S/C13H19N3O/c1-9-7-16(8-10(2)17-9)12-5-6-14-13(15-12)11-3-4-11/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyCHBFTAQHYJHEAZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.97
Rot. Bonds2

About 4-(2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine

4-(2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine (PubChem CID 171704070) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine
PubChem CID171704070
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-(2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine
SMILESCC1CN(c2ccnc(C3CC3)n2)CC(C)O1
InChIInChI=1S/C13H19N3O/c1-9-7-16(8-10(2)17-9)12-5-6-14-13(15-12)11-3-4-11/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyCHBFTAQHYJHEAZ-UHFFFAOYSA-N
XLogP1.97
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338682
4-(azetidin-1-yl)-2-cyclopropylpyrimidine
CID 131087729
(2S,6R)-4-(6-bromo-2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 104959782
4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-dimethylpyrimidin-2-amine
CID 102937271
2-(2-cyclopropylpyrimidin-4-yl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126934158
(3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95137462
4-(2-cyclopropylpyrimidin-4-yl)-2-(difluoromethyl)morpholine
CID 126778282
2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-propylpyrimidin-4-amine
CID 104961859
2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine
CID 133298308
(2R,6S)-2,6-dimethyl-4-(6-methyl-2-pyridinyl)morpholine
CID 89468985
1-cyclopropyl-N-[[(2R)-4-(2-cyclopropylpyrimidin-4-yl)morpholin-2-yl]methyl]-N-methylmethanamine
CID 129337812
5-bromo-N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 171328258

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine (CID 171704070) is 4-(2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine is CC1CN(c2ccnc(C3CC3)n2)CC(C)O1.
What is the InChIKey of 4-(2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine?
The InChIKey is CHBFTAQHYJHEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-7-16(8-10(2)17-9)12-5-6-14-13(15-12)11-3-4-11/h5-6,9-11H,3-4,7-8H2,1-2H3.
What are the key properties of 4-(2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine?
4-(2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine has a molecular weight of 233.31 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 171704070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).