5-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-6-one

C10H14N4O2 — CID 110849863

IUPAC5-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCN1CCN(C(=O)c2cnc[nH]c2=O)CC1
InChIInChI=1S/C10H14N4O2/c1-13-2-4-14(5-3-13)10(16)8-6-11-7-12-9(8)15/h6-7H,2-5H2,1H3,(H,11,12,15)
InChIKeyAKLHOXINWJLQPR-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.84
Rot. Bonds1

About 5-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-6-one

5-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 110849863) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 5-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID110849863
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name5-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCN1CCN(C(=O)c2cnc[nH]c2=O)CC1
InChIInChI=1S/C10H14N4O2/c1-13-2-4-14(5-3-13)10(16)8-6-11-7-12-9(8)15/h6-7H,2-5H2,1H3,(H,11,12,15)
InChIKeyAKLHOXINWJLQPR-UHFFFAOYSA-N
XLogP-0.84
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-6-one (CID 110849863) is 5-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-6-one is CN1CCN(C(=O)c2cnc[nH]c2=O)CC1.
What is the InChIKey of 5-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is AKLHOXINWJLQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-13-2-4-14(5-3-13)10(16)8-6-11-7-12-9(8)15/h6-7H,2-5H2,1H3,(H,11,12,15).
What are the key properties of 5-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-6-one?
5-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 222.25 g/mol, XLogP of -0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 110849863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).