3-[2-(diethylamino)-4-pyridinyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

C20H28N6O — CID 53186097

IUPAC3-[2-(diethylamino)-4-pyridinyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
SMILESCCN(CC)c1cc(CCC(=O)N2CCN(c3ncccn3)CC2)ccn1
InChIInChI=1S/C20H28N6O/c1-3-24(4-2)18-16-17(8-11-21-18)6-7-19(27)25-12-14-26(15-13-25)20-22-9-5-10-23-20/h5,8-11,16H,3-4,6-7,12-15H2,1-2H3
InChIKeyGMMPSPDVDYNFBO-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.00
Rot. Bonds7

About 3-[2-(diethylamino)-4-pyridinyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

3-[2-(diethylamino)-4-pyridinyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 53186097) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 3-[2-(diethylamino)-4-pyridinyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[2-(diethylamino)-4-pyridinyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID53186097
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name3-[2-(diethylamino)-4-pyridinyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
SMILESCCN(CC)c1cc(CCC(=O)N2CCN(c3ncccn3)CC2)ccn1
InChIInChI=1S/C20H28N6O/c1-3-24(4-2)18-16-17(8-11-21-18)6-7-19(27)25-12-14-26(15-13-25)20-22-9-5-10-23-20/h5,8-11,16H,3-4,6-7,12-15H2,1-2H3
InChIKeyGMMPSPDVDYNFBO-UHFFFAOYSA-N
XLogP2.00
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Ethyl-9-methyl-13-[2-(pyrimidin-5-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470732
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
Pyrido-[2,3-d]-pyrimidin-7-one 25
CID 5330268
Pyrido[2,3-d]pyriMidin-7(8H)-one, 8-cyclopentyl-5-Methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]aMino]-
CID 5330281
6-(4-{[4-(Propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile
CID 139532134
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-3-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 10884041
2-[4-(2-Methylbenzoyl)-1-piperazinyl]pyrimidine
CID 896524
1-(4-Methylbenzoyl)-4-(2-pyridinyl)piperazine
CID 706998
Phenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2368501
2-[4-(4-Methylbenzoyl)piperazin-1-yl]pyrimidine
CID 903798
Phenylcarbonyl piperazine, 3
CID 2741589
Pyrido[2,3-d]pyrimidin-7-one deriv. 53
CID 5328649

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)-4-pyridinyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[2-(diethylamino)-4-pyridinyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one (CID 53186097) is 3-[2-(diethylamino)-4-pyridinyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[2-(diethylamino)-4-pyridinyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[2-(diethylamino)-4-pyridinyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one is CCN(CC)c1cc(CCC(=O)N2CCN(c3ncccn3)CC2)ccn1.
What is the InChIKey of 3-[2-(diethylamino)-4-pyridinyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is GMMPSPDVDYNFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-3-24(4-2)18-16-17(8-11-21-18)6-7-19(27)25-12-14-26(15-13-25)20-22-9-5-10-23-20/h5,8-11,16H,3-4,6-7,12-15H2,1-2H3.
What are the key properties of 3-[2-(diethylamino)-4-pyridinyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
3-[2-(diethylamino)-4-pyridinyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 368.49 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)-4-pyridinyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 53186097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).