16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane

C16H26ClN3O5 — CID 11291813

IUPAC16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
SMILESClc1cc(N2CCOCCOCCOCCOCCOCC2)ncn1
InChIInChI=1S/C16H26ClN3O5/c17-15-13-16(19-14-18-15)20-1-3-21-5-7-23-9-11-25-12-10-24-8-6-22-4-2-20/h13-14H,1-12H2
InChIKeyGXSXLQPXJJJJRS-UHFFFAOYSA-N
MW375.85 g/mol
LogP1.03
Rot. Bonds1

About 16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane

16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane (PubChem CID 11291813) has the molecular formula C16H26ClN3O5 and a molecular weight of 375.85 g/mol. Its IUPAC name is 16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane.

Molecular Properties

Compound Name16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
PubChem CID11291813
Molecular FormulaC16H26ClN3O5
Molecular Weight375.85 g/mol
Exact Mass375.16
IUPAC Name16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
SMILESClc1cc(N2CCOCCOCCOCCOCCOCC2)ncn1
InChIInChI=1S/C16H26ClN3O5/c17-15-13-16(19-14-18-15)20-1-3-21-5-7-23-9-11-25-12-10-24-8-6-22-4-2-20/h13-14H,1-12H2
InChIKeyGXSXLQPXJJJJRS-UHFFFAOYSA-N
XLogP1.03
TPSA75.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]morpholine
CID 22309538
(9aS)-8-(6-chloropyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 138543962
4-(6-chloropyrimidin-4-yl)-2-methylmorpholine
CID 61277750
1-(6-chloropyrimidin-4-yl)piperidin-4-one;ethene
CID 22000286
N-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857173
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde
CID 112857021
(2R)-4-(6-chloropyrimidin-4-yl)morpholine-2-carboxylic acid
CID 175148937
4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine
CID 122282690
4-[6-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 165434180
3-(6-chloropyrimidin-4-yl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane
CID 59401695
4-chloro-6-(4-methoxypiperidin-1-yl)pyrimidine
CID 22309693
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059

Frequently Asked Questions

What is the IUPAC name of 16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The IUPAC name of 16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane (CID 11291813) is 16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane.
What is the SMILES notation for 16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The canonical SMILES for 16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane is Clc1cc(N2CCOCCOCCOCCOCCOCC2)ncn1.
What is the InChIKey of 16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The InChIKey is GXSXLQPXJJJJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O5/c17-15-13-16(19-14-18-15)20-1-3-21-5-7-23-9-11-25-12-10-24-8-6-22-4-2-20/h13-14H,1-12H2.
What are the key properties of 16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane has a molecular weight of 375.85 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane is sourced from PubChem (CID 11291813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).