(3-chloro-4-pyridinyl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone

C16H18ClN5O2 — CID 128964934

IUPAC(3-chloro-4-pyridinyl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
SMILESCN(C)c1nccc(C2CN(C(=O)c3ccncc3Cl)CCO2)n1
InChIInChI=1S/C16H18ClN5O2/c1-21(2)16-19-6-4-13(20-16)14-10-22(7-8-24-14)15(23)11-3-5-18-9-12(11)17/h3-6,9,14H,7-8,10H2,1-2H3
InChIKeyISKXGHLGWIUFCW-UHFFFAOYSA-N
MW347.81 g/mol
LogP1.80
Rot. Bonds3

About (3-chloro-4-pyridinyl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone

(3-chloro-4-pyridinyl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone (PubChem CID 128964934) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
PubChem CID128964934
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name(3-chloro-4-pyridinyl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
SMILESCN(C)c1nccc(C2CN(C(=O)c3ccncc3Cl)CCO2)n1
InChIInChI=1S/C16H18ClN5O2/c1-21(2)16-19-6-4-13(20-16)14-10-22(7-8-24-14)15(23)11-3-5-18-9-12(11)17/h3-6,9,14H,7-8,10H2,1-2H3
InChIKeyISKXGHLGWIUFCW-UHFFFAOYSA-N
XLogP1.80
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[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
cyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 128995208
(4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 128971704
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 128974121
1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one
CID 129479017
[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-indazol-4-yl)methanone
CID 129478452
[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
[(1R,2S)-2-cyclopropylcyclopropyl]-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 129341565
[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 129332793
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpiperidin-2-yl)methanone
CID 128964972

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone?
The IUPAC name of (3-chloro-4-pyridinyl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone (CID 128964934) is (3-chloro-4-pyridinyl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone.
What is the SMILES notation for (3-chloro-4-pyridinyl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone?
The canonical SMILES for (3-chloro-4-pyridinyl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone is CN(C)c1nccc(C2CN(C(=O)c3ccncc3Cl)CCO2)n1.
What is the InChIKey of (3-chloro-4-pyridinyl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone?
The InChIKey is ISKXGHLGWIUFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-21(2)16-19-6-4-13(20-16)14-10-22(7-8-24-14)15(23)11-3-5-18-9-12(11)17/h3-6,9,14H,7-8,10H2,1-2H3.
What are the key properties of (3-chloro-4-pyridinyl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone?
(3-chloro-4-pyridinyl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone has a molecular weight of 347.81 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 128964934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).