1-(6-chloropyrimidin-4-yl)-4-(morpholine-4-carbonyl)piperazin-2-one

C13H16ClN5O3 — CID 134787651

IUPAC1-(6-chloropyrimidin-4-yl)-4-(morpholine-4-carbonyl)piperazin-2-one
SMILESO=C(N1CCOCC1)N1CCN(c2cc(Cl)ncn2)C(=O)C1
InChIInChI=1S/C13H16ClN5O3/c14-10-7-11(16-9-15-10)19-2-1-18(8-12(19)20)13(21)17-3-5-22-6-4-17/h7,9H,1-6,8H2
InChIKeyFRZULLRSQAQGKM-UHFFFAOYSA-N
MW325.76 g/mol
LogP0.23
Rot. Bonds1

About 1-(6-chloropyrimidin-4-yl)-4-(morpholine-4-carbonyl)piperazin-2-one

1-(6-chloropyrimidin-4-yl)-4-(morpholine-4-carbonyl)piperazin-2-one (PubChem CID 134787651) has the molecular formula C13H16ClN5O3 and a molecular weight of 325.76 g/mol. Its IUPAC name is 1-(6-chloropyrimidin-4-yl)-4-(morpholine-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(6-chloropyrimidin-4-yl)-4-(morpholine-4-carbonyl)piperazin-2-one
PubChem CID134787651
Molecular FormulaC13H16ClN5O3
Molecular Weight325.76 g/mol
Exact Mass325.09
IUPAC Name1-(6-chloropyrimidin-4-yl)-4-(morpholine-4-carbonyl)piperazin-2-one
SMILESO=C(N1CCOCC1)N1CCN(c2cc(Cl)ncn2)C(=O)C1
InChIInChI=1S/C13H16ClN5O3/c14-10-7-11(16-9-15-10)19-2-1-18(8-12(19)20)13(21)17-3-5-22-6-4-17/h7,9H,1-6,8H2
InChIKeyFRZULLRSQAQGKM-UHFFFAOYSA-N
XLogP0.23
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrimidin-4-yl)-4-(morpholine-4-carbonyl)piperazin-2-one?
The IUPAC name of 1-(6-chloropyrimidin-4-yl)-4-(morpholine-4-carbonyl)piperazin-2-one (CID 134787651) is 1-(6-chloropyrimidin-4-yl)-4-(morpholine-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(6-chloropyrimidin-4-yl)-4-(morpholine-4-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(6-chloropyrimidin-4-yl)-4-(morpholine-4-carbonyl)piperazin-2-one is O=C(N1CCOCC1)N1CCN(c2cc(Cl)ncn2)C(=O)C1.
What is the InChIKey of 1-(6-chloropyrimidin-4-yl)-4-(morpholine-4-carbonyl)piperazin-2-one?
The InChIKey is FRZULLRSQAQGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O3/c14-10-7-11(16-9-15-10)19-2-1-18(8-12(19)20)13(21)17-3-5-22-6-4-17/h7,9H,1-6,8H2.
What are the key properties of 1-(6-chloropyrimidin-4-yl)-4-(morpholine-4-carbonyl)piperazin-2-one?
1-(6-chloropyrimidin-4-yl)-4-(morpholine-4-carbonyl)piperazin-2-one has a molecular weight of 325.76 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrimidin-4-yl)-4-(morpholine-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 134787651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).