(2,2-dimethylmorpholin-4-yl)-(2-propan-2-ylpyrimidin-4-yl)methanone

C14H21N3O2 — CID 91828457

IUPAC(2,2-dimethylmorpholin-4-yl)-(2-propan-2-ylpyrimidin-4-yl)methanone
SMILESCC(C)c1nccc(C(=O)N2CCOC(C)(C)C2)n1
InChIInChI=1S/C14H21N3O2/c1-10(2)12-15-6-5-11(16-12)13(18)17-7-8-19-14(3,4)9-17/h5-6,10H,7-9H2,1-4H3
InChIKeyRRLKVSVDWYQDBP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.85
Rot. Bonds2

About (2,2-dimethylmorpholin-4-yl)-(2-propan-2-ylpyrimidin-4-yl)methanone

(2,2-dimethylmorpholin-4-yl)-(2-propan-2-ylpyrimidin-4-yl)methanone (PubChem CID 91828457) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-(2-propan-2-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-(2-propan-2-ylpyrimidin-4-yl)methanone
PubChem CID91828457
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2,2-dimethylmorpholin-4-yl)-(2-propan-2-ylpyrimidin-4-yl)methanone
SMILESCC(C)c1nccc(C(=O)N2CCOC(C)(C)C2)n1
InChIInChI=1S/C14H21N3O2/c1-10(2)12-15-6-5-11(16-12)13(18)17-7-8-19-14(3,4)9-17/h5-6,10H,7-9H2,1-4H3
InChIKeyRRLKVSVDWYQDBP-UHFFFAOYSA-N
XLogP1.85
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-(2-propan-2-ylpyrimidin-4-yl)methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-(2-propan-2-ylpyrimidin-4-yl)methanone (CID 91828457) is (2,2-dimethylmorpholin-4-yl)-(2-propan-2-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-(2-propan-2-ylpyrimidin-4-yl)methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-(2-propan-2-ylpyrimidin-4-yl)methanone is CC(C)c1nccc(C(=O)N2CCOC(C)(C)C2)n1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-(2-propan-2-ylpyrimidin-4-yl)methanone?
The InChIKey is RRLKVSVDWYQDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)12-15-6-5-11(16-12)13(18)17-7-8-19-14(3,4)9-17/h5-6,10H,7-9H2,1-4H3.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-(2-propan-2-ylpyrimidin-4-yl)methanone?
(2,2-dimethylmorpholin-4-yl)-(2-propan-2-ylpyrimidin-4-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-(2-propan-2-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 91828457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).