(6R)-2-hydroxy-6-(2-methylpropyl)-3-prop-2-enyl-8,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-4,7-dione

C14H19N3O3 — CID 137286776

IUPAC(6R)-2-hydroxy-6-(2-methylpropyl)-3-prop-2-enyl-8,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-4,7-dione
SMILESC=CCc1c(O)nc2n(c1=O)[C@H](CC(C)C)C(=O)NC2
InChIInChI=1S/C14H19N3O3/c1-4-5-9-12(18)16-11-7-15-13(19)10(6-8(2)3)17(11)14(9)20/h4,8,10,18H,1,5-7H2,2-3H3,(H,15,19)/t10-/m1/s1
InChIKeyMQOPXLBHSDWWDH-SNVBAGLBSA-N
MW277.32 g/mol
LogP0.89
Rot. Bonds4

About (6R)-2-hydroxy-6-(2-methylpropyl)-3-prop-2-enyl-8,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-4,7-dione

(6R)-2-hydroxy-6-(2-methylpropyl)-3-prop-2-enyl-8,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-4,7-dione (PubChem CID 137286776) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (6R)-2-hydroxy-6-(2-methylpropyl)-3-prop-2-enyl-8,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-4,7-dione.

Molecular Properties

Compound Name(6R)-2-hydroxy-6-(2-methylpropyl)-3-prop-2-enyl-8,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-4,7-dione
PubChem CID137286776
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(6R)-2-hydroxy-6-(2-methylpropyl)-3-prop-2-enyl-8,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-4,7-dione
SMILESC=CCc1c(O)nc2n(c1=O)[C@H](CC(C)C)C(=O)NC2
InChIInChI=1S/C14H19N3O3/c1-4-5-9-12(18)16-11-7-15-13(19)10(6-8(2)3)17(11)14(9)20/h4,8,10,18H,1,5-7H2,2-3H3,(H,15,19)/t10-/m1/s1
InChIKeyMQOPXLBHSDWWDH-SNVBAGLBSA-N
XLogP0.89
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-hydroxy-6-(2-methylpropyl)-3-prop-2-enyl-8,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-4,7-dione?
The IUPAC name of (6R)-2-hydroxy-6-(2-methylpropyl)-3-prop-2-enyl-8,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-4,7-dione (CID 137286776) is (6R)-2-hydroxy-6-(2-methylpropyl)-3-prop-2-enyl-8,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-4,7-dione.
What is the SMILES notation for (6R)-2-hydroxy-6-(2-methylpropyl)-3-prop-2-enyl-8,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-4,7-dione?
The canonical SMILES for (6R)-2-hydroxy-6-(2-methylpropyl)-3-prop-2-enyl-8,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-4,7-dione is C=CCc1c(O)nc2n(c1=O)[C@H](CC(C)C)C(=O)NC2.
What is the InChIKey of (6R)-2-hydroxy-6-(2-methylpropyl)-3-prop-2-enyl-8,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-4,7-dione?
The InChIKey is MQOPXLBHSDWWDH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-4-5-9-12(18)16-11-7-15-13(19)10(6-8(2)3)17(11)14(9)20/h4,8,10,18H,1,5-7H2,2-3H3,(H,15,19)/t10-/m1/s1.
What are the key properties of (6R)-2-hydroxy-6-(2-methylpropyl)-3-prop-2-enyl-8,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-4,7-dione?
(6R)-2-hydroxy-6-(2-methylpropyl)-3-prop-2-enyl-8,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-4,7-dione has a molecular weight of 277.32 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-hydroxy-6-(2-methylpropyl)-3-prop-2-enyl-8,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-4,7-dione is sourced from PubChem (CID 137286776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).