(4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone

C15H18ClN5O2 — CID 128971704

IUPAC(4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
SMILESCN(C)c1nccc(C2CN(C(=O)c3cc(Cl)c[nH]3)CCO2)n1
InChIInChI=1S/C15H18ClN5O2/c1-20(2)15-17-4-3-11(19-15)13-9-21(5-6-23-13)14(22)12-7-10(16)8-18-12/h3-4,7-8,13,18H,5-6,9H2,1-2H3
InChIKeyCWJIYKPXBJSLKR-UHFFFAOYSA-N
MW335.80 g/mol
LogP1.74
Rot. Bonds3

About (4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone

(4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone (PubChem CID 128971704) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is (4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
PubChem CID128971704
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Name(4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
SMILESCN(C)c1nccc(C2CN(C(=O)c3cc(Cl)c[nH]3)CCO2)n1
InChIInChI=1S/C15H18ClN5O2/c1-20(2)15-17-4-3-11(19-15)13-9-21(5-6-23-13)14(22)12-7-10(16)8-18-12/h3-4,7-8,13,18H,5-6,9H2,1-2H3
InChIKeyCWJIYKPXBJSLKR-UHFFFAOYSA-N
XLogP1.74
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone with MolForge

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Related Compounds

[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-pyrrol-3-yl)methanone
CID 128964952
[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 129328387
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97352196
(3-chloro-4-pyridinyl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 128964934
1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one
CID 129479017
(4-chloro-1H-pyrrol-2-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 71928757
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 96996893
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone
CID 128971349
[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 129478934
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 128964973
cyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 128995208
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 129477542

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone?
The IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone (CID 128971704) is (4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone?
The canonical SMILES for (4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone is CN(C)c1nccc(C2CN(C(=O)c3cc(Cl)c[nH]3)CCO2)n1.
What is the InChIKey of (4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone?
The InChIKey is CWJIYKPXBJSLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c1-20(2)15-17-4-3-11(19-15)13-9-21(5-6-23-13)14(22)12-7-10(16)8-18-12/h3-4,7-8,13,18H,5-6,9H2,1-2H3.
What are the key properties of (4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone?
(4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone has a molecular weight of 335.80 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 128971704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).