1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one

C15H17N5O3 — CID 155974547

IUPAC1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
SMILESCOc1cc(N2CCN(c3cc(OC)ncn3)CC2=O)ccn1
InChIInChI=1S/C15H17N5O3/c1-22-13-7-11(3-4-16-13)20-6-5-19(9-15(20)21)12-8-14(23-2)18-10-17-12/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKeyITTDJZOTPIYZGZ-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.74
Rot. Bonds4

About 1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one

1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one (PubChem CID 155974547) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
PubChem CID155974547
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
SMILESCOc1cc(N2CCN(c3cc(OC)ncn3)CC2=O)ccn1
InChIInChI=1S/C15H17N5O3/c1-22-13-7-11(3-4-16-13)20-6-5-19(9-15(20)21)12-8-14(23-2)18-10-17-12/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKeyITTDJZOTPIYZGZ-UHFFFAOYSA-N
XLogP0.74
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one?
The IUPAC name of 1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one (CID 155974547) is 1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for 1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for 1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one is COc1cc(N2CCN(c3cc(OC)ncn3)CC2=O)ccn1.
What is the InChIKey of 1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one?
The InChIKey is ITTDJZOTPIYZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-22-13-7-11(3-4-16-13)20-6-5-19(9-15(20)21)12-8-14(23-2)18-10-17-12/h3-4,7-8,10H,5-6,9H2,1-2H3.
What are the key properties of 1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one?
1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one has a molecular weight of 315.33 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 155974547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).