(2-cyclopropylpyrimidin-4-yl)-[(3S)-3-ethyl-3-methylmorpholin-4-yl]methanone

C15H21N3O2 — CID 164630523

IUPAC(2-cyclopropylpyrimidin-4-yl)-[(3S)-3-ethyl-3-methylmorpholin-4-yl]methanone
SMILESCC[C@@]1(C)COCCN1C(=O)c1ccnc(C2CC2)n1
InChIInChI=1S/C15H21N3O2/c1-3-15(2)10-20-9-8-18(15)14(19)12-6-7-16-13(17-12)11-4-5-11/h6-7,11H,3-5,8-10H2,1-2H3/t15-/m0/s1
InChIKeyVJPKBJCTLCONFH-HNNXBMFYSA-N
MW275.35 g/mol
LogP2.00
Rot. Bonds3

About (2-cyclopropylpyrimidin-4-yl)-[(3S)-3-ethyl-3-methylmorpholin-4-yl]methanone

(2-cyclopropylpyrimidin-4-yl)-[(3S)-3-ethyl-3-methylmorpholin-4-yl]methanone (PubChem CID 164630523) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-4-yl)-[(3S)-3-ethyl-3-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-4-yl)-[(3S)-3-ethyl-3-methylmorpholin-4-yl]methanone
PubChem CID164630523
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2-cyclopropylpyrimidin-4-yl)-[(3S)-3-ethyl-3-methylmorpholin-4-yl]methanone
SMILESCC[C@@]1(C)COCCN1C(=O)c1ccnc(C2CC2)n1
InChIInChI=1S/C15H21N3O2/c1-3-15(2)10-20-9-8-18(15)14(19)12-6-7-16-13(17-12)11-4-5-11/h6-7,11H,3-5,8-10H2,1-2H3/t15-/m0/s1
InChIKeyVJPKBJCTLCONFH-HNNXBMFYSA-N
XLogP2.00
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-4-yl)-[(3S)-3-ethyl-3-methylmorpholin-4-yl]methanone?
The IUPAC name of (2-cyclopropylpyrimidin-4-yl)-[(3S)-3-ethyl-3-methylmorpholin-4-yl]methanone (CID 164630523) is (2-cyclopropylpyrimidin-4-yl)-[(3S)-3-ethyl-3-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (2-cyclopropylpyrimidin-4-yl)-[(3S)-3-ethyl-3-methylmorpholin-4-yl]methanone?
The canonical SMILES for (2-cyclopropylpyrimidin-4-yl)-[(3S)-3-ethyl-3-methylmorpholin-4-yl]methanone is CC[C@@]1(C)COCCN1C(=O)c1ccnc(C2CC2)n1.
What is the InChIKey of (2-cyclopropylpyrimidin-4-yl)-[(3S)-3-ethyl-3-methylmorpholin-4-yl]methanone?
The InChIKey is VJPKBJCTLCONFH-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-15(2)10-20-9-8-18(15)14(19)12-6-7-16-13(17-12)11-4-5-11/h6-7,11H,3-5,8-10H2,1-2H3/t15-/m0/s1.
What are the key properties of (2-cyclopropylpyrimidin-4-yl)-[(3S)-3-ethyl-3-methylmorpholin-4-yl]methanone?
(2-cyclopropylpyrimidin-4-yl)-[(3S)-3-ethyl-3-methylmorpholin-4-yl]methanone has a molecular weight of 275.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-4-yl)-[(3S)-3-ethyl-3-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 164630523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).