4-(3-chlorophenyl)-6-methylpyrimidine;morpholine-4-carbaldehyde

C16H18ClN3O2 — CID 144544689

IUPAC4-(3-chlorophenyl)-6-methylpyrimidine;morpholine-4-carbaldehyde
SMILESCc1cc(-c2cccc(Cl)c2)ncn1.O=CN1CCOCC1
InChIInChI=1S/C11H9ClN2.C5H9NO2/c1-8-5-11(14-7-13-8)9-3-2-4-10(12)6-9;7-5-6-1-3-8-4-2-6/h2-7H,1H3;5H,1-4H2
InChIKeyJTZKUFKSBGJXGI-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.58
Rot. Bonds2

About 4-(3-chlorophenyl)-6-methylpyrimidine;morpholine-4-carbaldehyde

4-(3-chlorophenyl)-6-methylpyrimidine;morpholine-4-carbaldehyde (PubChem CID 144544689) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-methylpyrimidine;morpholine-4-carbaldehyde.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-methylpyrimidine;morpholine-4-carbaldehyde
PubChem CID144544689
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name4-(3-chlorophenyl)-6-methylpyrimidine;morpholine-4-carbaldehyde
SMILESCc1cc(-c2cccc(Cl)c2)ncn1.O=CN1CCOCC1
InChIInChI=1S/C11H9ClN2.C5H9NO2/c1-8-5-11(14-7-13-8)9-3-2-4-10(12)6-9;7-5-6-1-3-8-4-2-6/h2-7H,1H3;5H,1-4H2
InChIKeyJTZKUFKSBGJXGI-UHFFFAOYSA-N
XLogP2.58
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethane;morpholine-4-carbaldehyde;1,3-xylene
CID 142911408
8-chloro-4-[3-(6-methylpyrimidin-4-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one
CID 22317487
[2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 1261463
6-(3-chlorophenyl)-N-methylsulfinylpyrimidine-4-carboxamide
CID 123262355
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059
4-[5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperidine-1-carbaldehyde
CID 175396656
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde
CID 112857021
(3-chlorophenyl)-[4-[6-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 50840767
4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine
CID 21259166
(4Z)-2-(3-chlorophenyl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 9312954
4-[5-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 166626749
[4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone
CID 110854458

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-methylpyrimidine;morpholine-4-carbaldehyde?
The IUPAC name of 4-(3-chlorophenyl)-6-methylpyrimidine;morpholine-4-carbaldehyde (CID 144544689) is 4-(3-chlorophenyl)-6-methylpyrimidine;morpholine-4-carbaldehyde.
What is the SMILES notation for 4-(3-chlorophenyl)-6-methylpyrimidine;morpholine-4-carbaldehyde?
The canonical SMILES for 4-(3-chlorophenyl)-6-methylpyrimidine;morpholine-4-carbaldehyde is Cc1cc(-c2cccc(Cl)c2)ncn1.O=CN1CCOCC1.
What is the InChIKey of 4-(3-chlorophenyl)-6-methylpyrimidine;morpholine-4-carbaldehyde?
The InChIKey is JTZKUFKSBGJXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2.C5H9NO2/c1-8-5-11(14-7-13-8)9-3-2-4-10(12)6-9;7-5-6-1-3-8-4-2-6/h2-7H,1H3;5H,1-4H2.
What are the key properties of 4-(3-chlorophenyl)-6-methylpyrimidine;morpholine-4-carbaldehyde?
4-(3-chlorophenyl)-6-methylpyrimidine;morpholine-4-carbaldehyde has a molecular weight of 319.79 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-methylpyrimidine;morpholine-4-carbaldehyde is sourced from PubChem (CID 144544689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).