4-[6-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]morpholine

C17H20BrClN6O — CID 165434180

IUPAC4-[6-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESClc1cc(Br)cnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C17H20BrClN6O/c18-13-9-14(19)17(20-11-13)25-3-1-23(2-4-25)15-10-16(22-12-21-15)24-5-7-26-8-6-24/h9-12H,1-8H2
InChIKeyCHYNKBRMCBTKEN-UHFFFAOYSA-N
MW439.75 g/mol
LogP2.45
Rot. Bonds3

About 4-[6-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]morpholine

4-[6-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 165434180) has the molecular formula C17H20BrClN6O and a molecular weight of 439.75 g/mol. Its IUPAC name is 4-[6-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID165434180
Molecular FormulaC17H20BrClN6O
Molecular Weight439.75 g/mol
Exact Mass438.06
IUPAC Name4-[6-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESClc1cc(Br)cnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C17H20BrClN6O/c18-13-9-14(19)17(20-11-13)25-3-1-23(2-4-25)15-10-16(22-12-21-15)24-5-7-26-8-6-24/h9-12H,1-8H2
InChIKeyCHYNKBRMCBTKEN-UHFFFAOYSA-N
XLogP2.45
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.75
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine
CID 165434047
4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine
CID 133297534
16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11291813
5-chloro-6-morpholin-4-ylpyridin-3-amine;hydron
CID 69345402
2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine
CID 171701414
4-[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 166601581
1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 103582784
2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine
CID 103582181
4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 165434183
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde
CID 112857021
5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 19869906
4-[6-[4-(5-chloro-3-fluoro-2-pyridinyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 165433176

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]morpholine (CID 165434180) is 4-[6-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]morpholine is Clc1cc(Br)cnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1.
What is the InChIKey of 4-[6-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is CHYNKBRMCBTKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrClN6O/c18-13-9-14(19)17(20-11-13)25-3-1-23(2-4-25)15-10-16(22-12-21-15)24-5-7-26-8-6-24/h9-12H,1-8H2.
What are the key properties of 4-[6-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
4-[6-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 439.75 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 165434180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).