(4S)-4-methyl-6-methylsulfanyl-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

C12H17N3O2S — CID 145301951

IUPAC(4S)-4-methyl-6-methylsulfanyl-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCSc1nc(=O)cc2n1[C@@H](C)CN(C(C)C)C2=O
InChIInChI=1S/C12H17N3O2S/c1-7(2)14-6-8(3)15-9(11(14)17)5-10(16)13-12(15)18-4/h5,7-8H,6H2,1-4H3/t8-/m0/s1
InChIKeyJPJNIRUJVNAHBN-QMMMGPOBSA-N
MW267.35 g/mol
LogP1.39
Rot. Bonds2

About (4S)-4-methyl-6-methylsulfanyl-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

(4S)-4-methyl-6-methylsulfanyl-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (PubChem CID 145301951) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is (4S)-4-methyl-6-methylsulfanyl-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.

Molecular Properties

Compound Name(4S)-4-methyl-6-methylsulfanyl-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
PubChem CID145301951
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name(4S)-4-methyl-6-methylsulfanyl-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCSc1nc(=O)cc2n1[C@@H](C)CN(C(C)C)C2=O
InChIInChI=1S/C12H17N3O2S/c1-7(2)14-6-8(3)15-9(11(14)17)5-10(16)13-12(15)18-4/h5,7-8H,6H2,1-4H3/t8-/m0/s1
InChIKeyJPJNIRUJVNAHBN-QMMMGPOBSA-N
XLogP1.39
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-6-methylsulfanyl-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The IUPAC name of (4S)-4-methyl-6-methylsulfanyl-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (CID 145301951) is (4S)-4-methyl-6-methylsulfanyl-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.
What is the SMILES notation for (4S)-4-methyl-6-methylsulfanyl-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The canonical SMILES for (4S)-4-methyl-6-methylsulfanyl-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is CSc1nc(=O)cc2n1[C@@H](C)CN(C(C)C)C2=O.
What is the InChIKey of (4S)-4-methyl-6-methylsulfanyl-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The InChIKey is JPJNIRUJVNAHBN-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-7(2)14-6-8(3)15-9(11(14)17)5-10(16)13-12(15)18-4/h5,7-8H,6H2,1-4H3/t8-/m0/s1.
What are the key properties of (4S)-4-methyl-6-methylsulfanyl-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
(4S)-4-methyl-6-methylsulfanyl-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione has a molecular weight of 267.35 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-6-methylsulfanyl-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is sourced from PubChem (CID 145301951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).