3-propan-2-yl-2-pyrimidin-5-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

C15H20N4O2 — CID 107590285

IUPAC3-propan-2-yl-2-pyrimidin-5-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC(C)C1C(=O)N2CCCCC2C(=O)N1c1cncnc1
InChIInChI=1S/C15H20N4O2/c1-10(2)13-15(21)18-6-4-3-5-12(18)14(20)19(13)11-7-16-9-17-8-11/h7-10,12-13H,3-6H2,1-2H3
InChIKeyJBCLBVSDHXSTBM-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.23
Rot. Bonds2

About 3-propan-2-yl-2-pyrimidin-5-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

3-propan-2-yl-2-pyrimidin-5-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 107590285) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-propan-2-yl-2-pyrimidin-5-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-propan-2-yl-2-pyrimidin-5-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID107590285
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-propan-2-yl-2-pyrimidin-5-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC(C)C1C(=O)N2CCCCC2C(=O)N1c1cncnc1
InChIInChI=1S/C15H20N4O2/c1-10(2)13-15(21)18-6-4-3-5-12(18)14(20)19(13)11-7-16-9-17-8-11/h7-10,12-13H,3-6H2,1-2H3
InChIKeyJBCLBVSDHXSTBM-UHFFFAOYSA-N
XLogP1.23
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2-pyrimidin-5-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-propan-2-yl-2-pyrimidin-5-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 107590285) is 3-propan-2-yl-2-pyrimidin-5-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-propan-2-yl-2-pyrimidin-5-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-propan-2-yl-2-pyrimidin-5-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is CC(C)C1C(=O)N2CCCCC2C(=O)N1c1cncnc1.
What is the InChIKey of 3-propan-2-yl-2-pyrimidin-5-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is JBCLBVSDHXSTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)13-15(21)18-6-4-3-5-12(18)14(20)19(13)11-7-16-9-17-8-11/h7-10,12-13H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-yl-2-pyrimidin-5-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
3-propan-2-yl-2-pyrimidin-5-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 288.35 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-pyrimidin-5-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 107590285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).