(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone

C15H21ClN4O2 — CID 87001091

IUPAC(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2nc(N3CCCC3)ncc2Cl)CCO1
InChIInChI=1S/C15H21ClN4O2/c1-15(2)10-20(7-8-22-15)13(21)12-11(16)9-17-14(18-12)19-5-3-4-6-19/h9H,3-8,10H2,1-2H3
InChIKeyVOIJDRJRKLEZNZ-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.98
Rot. Bonds2

About (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone

(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 87001091) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID87001091
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2nc(N3CCCC3)ncc2Cl)CCO1
InChIInChI=1S/C15H21ClN4O2/c1-15(2)10-20(7-8-22-15)13(21)12-11(16)9-17-14(18-12)19-5-3-4-6-19/h9H,3-8,10H2,1-2H3
InChIKeyVOIJDRJRKLEZNZ-UHFFFAOYSA-N
XLogP1.98
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone (CID 87001091) is (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2nc(N3CCCC3)ncc2Cl)CCO1.
What is the InChIKey of (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is VOIJDRJRKLEZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O2/c1-15(2)10-20(7-8-22-15)13(21)12-11(16)9-17-14(18-12)19-5-3-4-6-19/h9H,3-8,10H2,1-2H3.
What are the key properties of (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone has a molecular weight of 324.81 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 87001091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).