6-chloro-4-(2-ethylpiperazin-1-yl)-1-methylpyrido[3,2-d]pyrimidin-2-one;ethane

C16H24ClN5O — CID 156645324

IUPAC6-chloro-4-(2-ethylpiperazin-1-yl)-1-methylpyrido[3,2-d]pyrimidin-2-one;ethane
SMILESCC.CCC1CNCCN1c1nc(=O)n(C)c2ccc(Cl)nc12
InChIInChI=1S/C14H18ClN5O.C2H6/c1-3-9-8-16-6-7-20(9)13-12-10(4-5-11(15)17-12)19(2)14(21)18-13;1-2/h4-5,9,16H,3,6-8H2,1-2H3;1-2H3
InChIKeyYEZSDZISKQTAKI-UHFFFAOYSA-N
MW337.86 g/mol
LogP2.20
Rot. Bonds2

About 6-chloro-4-(2-ethylpiperazin-1-yl)-1-methylpyrido[3,2-d]pyrimidin-2-one;ethane

6-chloro-4-(2-ethylpiperazin-1-yl)-1-methylpyrido[3,2-d]pyrimidin-2-one;ethane (PubChem CID 156645324) has the molecular formula C16H24ClN5O and a molecular weight of 337.86 g/mol. Its IUPAC name is 6-chloro-4-(2-ethylpiperazin-1-yl)-1-methylpyrido[3,2-d]pyrimidin-2-one;ethane.

Molecular Properties

Compound Name6-chloro-4-(2-ethylpiperazin-1-yl)-1-methylpyrido[3,2-d]pyrimidin-2-one;ethane
PubChem CID156645324
Molecular FormulaC16H24ClN5O
Molecular Weight337.86 g/mol
Exact Mass337.17
IUPAC Name6-chloro-4-(2-ethylpiperazin-1-yl)-1-methylpyrido[3,2-d]pyrimidin-2-one;ethane
SMILESCC.CCC1CNCCN1c1nc(=O)n(C)c2ccc(Cl)nc12
InChIInChI=1S/C14H18ClN5O.C2H6/c1-3-9-8-16-6-7-20(9)13-12-10(4-5-11(15)17-12)19(2)14(21)18-13;1-2/h4-5,9,16H,3,6-8H2,1-2H3;1-2H3
InChIKeyYEZSDZISKQTAKI-UHFFFAOYSA-N
XLogP2.20
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.86
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-ethylpiperazin-1-yl)-1-methylpyrido[3,2-d]pyrimidin-2-one;ethane?
The IUPAC name of 6-chloro-4-(2-ethylpiperazin-1-yl)-1-methylpyrido[3,2-d]pyrimidin-2-one;ethane (CID 156645324) is 6-chloro-4-(2-ethylpiperazin-1-yl)-1-methylpyrido[3,2-d]pyrimidin-2-one;ethane.
What is the SMILES notation for 6-chloro-4-(2-ethylpiperazin-1-yl)-1-methylpyrido[3,2-d]pyrimidin-2-one;ethane?
The canonical SMILES for 6-chloro-4-(2-ethylpiperazin-1-yl)-1-methylpyrido[3,2-d]pyrimidin-2-one;ethane is CC.CCC1CNCCN1c1nc(=O)n(C)c2ccc(Cl)nc12.
What is the InChIKey of 6-chloro-4-(2-ethylpiperazin-1-yl)-1-methylpyrido[3,2-d]pyrimidin-2-one;ethane?
The InChIKey is YEZSDZISKQTAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O.C2H6/c1-3-9-8-16-6-7-20(9)13-12-10(4-5-11(15)17-12)19(2)14(21)18-13;1-2/h4-5,9,16H,3,6-8H2,1-2H3;1-2H3.
What are the key properties of 6-chloro-4-(2-ethylpiperazin-1-yl)-1-methylpyrido[3,2-d]pyrimidin-2-one;ethane?
6-chloro-4-(2-ethylpiperazin-1-yl)-1-methylpyrido[3,2-d]pyrimidin-2-one;ethane has a molecular weight of 337.86 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-ethylpiperazin-1-yl)-1-methylpyrido[3,2-d]pyrimidin-2-one;ethane is sourced from PubChem (CID 156645324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).