1-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-2-(diethylamino)ethanone

C14H22ClN5O — CID 133481333

IUPAC1-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-2-(diethylamino)ethanone
SMILESCCN(CC)CC(=O)N1CCN(c2ncncc2Cl)CC1
InChIInChI=1S/C14H22ClN5O/c1-3-18(4-2)10-13(21)19-5-7-20(8-6-19)14-12(15)9-16-11-17-14/h9,11H,3-8,10H2,1-2H3
InChIKeyAVLMSQICAWZNIQ-UHFFFAOYSA-N
MW311.82 g/mol
LogP1.12
Rot. Bonds5

About 1-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-2-(diethylamino)ethanone

1-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-2-(diethylamino)ethanone (PubChem CID 133481333) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 1-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-2-(diethylamino)ethanone.

Molecular Properties

Compound Name1-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-2-(diethylamino)ethanone
PubChem CID133481333
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name1-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-2-(diethylamino)ethanone
SMILESCCN(CC)CC(=O)N1CCN(c2ncncc2Cl)CC1
InChIInChI=1S/C14H22ClN5O/c1-3-18(4-2)10-13(21)19-5-7-20(8-6-19)14-12(15)9-16-11-17-14/h9,11H,3-8,10H2,1-2H3
InChIKeyAVLMSQICAWZNIQ-UHFFFAOYSA-N
XLogP1.12
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-2-(diethylamino)ethanone?
The IUPAC name of 1-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-2-(diethylamino)ethanone (CID 133481333) is 1-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-2-(diethylamino)ethanone.
What is the SMILES notation for 1-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-2-(diethylamino)ethanone?
The canonical SMILES for 1-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-2-(diethylamino)ethanone is CCN(CC)CC(=O)N1CCN(c2ncncc2Cl)CC1.
What is the InChIKey of 1-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-2-(diethylamino)ethanone?
The InChIKey is AVLMSQICAWZNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5O/c1-3-18(4-2)10-13(21)19-5-7-20(8-6-19)14-12(15)9-16-11-17-14/h9,11H,3-8,10H2,1-2H3.
What are the key properties of 1-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-2-(diethylamino)ethanone?
1-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-2-(diethylamino)ethanone has a molecular weight of 311.82 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-2-(diethylamino)ethanone is sourced from PubChem (CID 133481333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).