7-tert-butyl-2-[3-methyl-3-(4-oxo-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)butyl]-6,8,9,9a-tetrahydro-4H-pyrimido[6,1-b][1,3]oxazin-3-one

C24H42N4O3 — CID 146649930

IUPAC7-tert-butyl-2-[3-methyl-3-(4-oxo-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)butyl]-6,8,9,9a-tetrahydro-4H-pyrimido[6,1-b][1,3]oxazin-3-one
SMILESCC(C)(C)N1CCC2OC(CCC(C)(C)N3CC(=O)N4CCCCC4C3)C(=O)CN2C1
InChIInChI=1S/C24H42N4O3/c1-23(2,3)26-13-10-22-25(17-26)15-19(29)20(31-22)9-11-24(4,5)27-14-18-8-6-7-12-28(18)21(30)16-27/h18,20,22H,6-17H2,1-5H3
InChIKeyZSIWCDRVWJNXHH-UHFFFAOYSA-N
MW434.63 g/mol
LogP2.30
Rot. Bonds4

About 7-tert-butyl-2-[3-methyl-3-(4-oxo-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)butyl]-6,8,9,9a-tetrahydro-4H-pyrimido[6,1-b][1,3]oxazin-3-one

7-tert-butyl-2-[3-methyl-3-(4-oxo-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)butyl]-6,8,9,9a-tetrahydro-4H-pyrimido[6,1-b][1,3]oxazin-3-one (PubChem CID 146649930) has the molecular formula C24H42N4O3 and a molecular weight of 434.63 g/mol. Its IUPAC name is 7-tert-butyl-2-[3-methyl-3-(4-oxo-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)butyl]-6,8,9,9a-tetrahydro-4H-pyrimido[6,1-b][1,3]oxazin-3-one.

Molecular Properties

Compound Name7-tert-butyl-2-[3-methyl-3-(4-oxo-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)butyl]-6,8,9,9a-tetrahydro-4H-pyrimido[6,1-b][1,3]oxazin-3-one
PubChem CID146649930
Molecular FormulaC24H42N4O3
Molecular Weight434.63 g/mol
Exact Mass434.33
IUPAC Name7-tert-butyl-2-[3-methyl-3-(4-oxo-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)butyl]-6,8,9,9a-tetrahydro-4H-pyrimido[6,1-b][1,3]oxazin-3-one
SMILESCC(C)(C)N1CCC2OC(CCC(C)(C)N3CC(=O)N4CCCCC4C3)C(=O)CN2C1
InChIInChI=1S/C24H42N4O3/c1-23(2,3)26-13-10-22-25(17-26)15-19(29)20(31-22)9-11-24(4,5)27-14-18-8-6-7-12-28(18)21(30)16-27/h18,20,22H,6-17H2,1-5H3
InChIKeyZSIWCDRVWJNXHH-UHFFFAOYSA-N
XLogP2.30
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.63
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-tert-butyl-2-[3-methyl-3-(4-oxo-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)butyl]-6,8,9,9a-tetrahydro-4H-pyrimido[6,1-b][1,3]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-[3-methyl-3-(4-oxo-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)butyl]-6,8,9,9a-tetrahydro-4H-pyrimido[6,1-b][1,3]oxazin-3-one?
The IUPAC name of 7-tert-butyl-2-[3-methyl-3-(4-oxo-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)butyl]-6,8,9,9a-tetrahydro-4H-pyrimido[6,1-b][1,3]oxazin-3-one (CID 146649930) is 7-tert-butyl-2-[3-methyl-3-(4-oxo-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)butyl]-6,8,9,9a-tetrahydro-4H-pyrimido[6,1-b][1,3]oxazin-3-one.
What is the SMILES notation for 7-tert-butyl-2-[3-methyl-3-(4-oxo-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)butyl]-6,8,9,9a-tetrahydro-4H-pyrimido[6,1-b][1,3]oxazin-3-one?
The canonical SMILES for 7-tert-butyl-2-[3-methyl-3-(4-oxo-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)butyl]-6,8,9,9a-tetrahydro-4H-pyrimido[6,1-b][1,3]oxazin-3-one is CC(C)(C)N1CCC2OC(CCC(C)(C)N3CC(=O)N4CCCCC4C3)C(=O)CN2C1.
What is the InChIKey of 7-tert-butyl-2-[3-methyl-3-(4-oxo-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)butyl]-6,8,9,9a-tetrahydro-4H-pyrimido[6,1-b][1,3]oxazin-3-one?
The InChIKey is ZSIWCDRVWJNXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4O3/c1-23(2,3)26-13-10-22-25(17-26)15-19(29)20(31-22)9-11-24(4,5)27-14-18-8-6-7-12-28(18)21(30)16-27/h18,20,22H,6-17H2,1-5H3.
What are the key properties of 7-tert-butyl-2-[3-methyl-3-(4-oxo-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)butyl]-6,8,9,9a-tetrahydro-4H-pyrimido[6,1-b][1,3]oxazin-3-one?
7-tert-butyl-2-[3-methyl-3-(4-oxo-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)butyl]-6,8,9,9a-tetrahydro-4H-pyrimido[6,1-b][1,3]oxazin-3-one has a molecular weight of 434.63 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-[3-methyl-3-(4-oxo-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)butyl]-6,8,9,9a-tetrahydro-4H-pyrimido[6,1-b][1,3]oxazin-3-one is sourced from PubChem (CID 146649930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).