4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine

C11H15Cl2N3O — CID 170871352

IUPAC4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine
SMILESClc1ncnc(Cl)c1CCCN1CCOCC1
InChIInChI=1S/C11H15Cl2N3O/c12-10-9(11(13)15-8-14-10)2-1-3-16-4-6-17-7-5-16/h8H,1-7H2
InChIKeyHIICDDBKLKLUNK-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.05
Rot. Bonds4

About 4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine

4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine (PubChem CID 170871352) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is 4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine
PubChem CID170871352
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine
SMILESClc1ncnc(Cl)c1CCCN1CCOCC1
InChIInChI=1S/C11H15Cl2N3O/c12-10-9(11(13)15-8-14-10)2-1-3-16-4-6-17-7-5-16/h8H,1-7H2
InChIKeyHIICDDBKLKLUNK-UHFFFAOYSA-N
XLogP2.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 170871362
6-chloro-5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 63729586
4-(3-pyrimidin-2-ylpropyl)morpholine
CID 170871392
3-chloro-2-(3-morpholin-4-ylpropyl)phenol
CID 170869480
5-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 154327108
4-(3-pyrimidin-4-ylpropyl)morpholine
CID 170871346
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
6-chloro-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 63729585
4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol
CID 170869854
4-[3-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]propyl]morpholine
CID 170870509
3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869741
4-[3-[2-(4-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine
CID 131892879

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine?
The IUPAC name of 4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine (CID 170871352) is 4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine is Clc1ncnc(Cl)c1CCCN1CCOCC1.
What is the InChIKey of 4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine?
The InChIKey is HIICDDBKLKLUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c12-10-9(11(13)15-8-14-10)2-1-3-16-4-6-17-7-5-16/h8H,1-7H2.
What are the key properties of 4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine?
4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine has a molecular weight of 276.17 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine is sourced from PubChem (CID 170871352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).