1-ethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one

C16H21N5O — CID 53191747

IUPAC1-ethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
SMILESCCn1cc(CN2CCN(c3ncccn3)CC2)ccc1=O
InChIInChI=1S/C16H21N5O/c1-2-20-13-14(4-5-15(20)22)12-19-8-10-21(11-9-19)16-17-6-3-7-18-16/h3-7,13H,2,8-12H2,1H3
InChIKeyPLTCXNMWTCPHHH-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.98
Rot. Bonds4

About 1-ethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one

1-ethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one (PubChem CID 53191747) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-ethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
PubChem CID53191747
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-ethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
SMILESCCn1cc(CN2CCN(c3ncccn3)CC2)ccc1=O
InChIInChI=1S/C16H21N5O/c1-2-20-13-14(4-5-15(20)22)12-19-8-10-21(11-9-19)16-17-6-3-7-18-16/h3-7,13H,2,8-12H2,1H3
InChIKeyPLTCXNMWTCPHHH-UHFFFAOYSA-N
XLogP0.98
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one?
The IUPAC name of 1-ethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one (CID 53191747) is 1-ethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one is CCn1cc(CN2CCN(c3ncccn3)CC2)ccc1=O.
What is the InChIKey of 1-ethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one?
The InChIKey is PLTCXNMWTCPHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-2-20-13-14(4-5-15(20)22)12-19-8-10-21(11-9-19)16-17-6-3-7-18-16/h3-7,13H,2,8-12H2,1H3.
What are the key properties of 1-ethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one?
1-ethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one has a molecular weight of 299.38 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one is sourced from PubChem (CID 53191747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).