(4S)-4,9-dimethyl-6-(methylamino)-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

C13H20N4O2 — CID 129096709

IUPAC(4S)-4,9-dimethyl-6-(methylamino)-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCNc1nc(=O)c(C)c2n1[C@@H](C)CN(C(C)C)C2=O
InChIInChI=1S/C13H20N4O2/c1-7(2)16-6-8(3)17-10(12(16)19)9(4)11(18)15-13(17)14-5/h7-8H,6H2,1-5H3,(H,14,15,18)/t8-/m0/s1
InChIKeyYDQMCWSAOMYTGZ-QMMMGPOBSA-N
MW264.33 g/mol
LogP1.02
Rot. Bonds2

About (4S)-4,9-dimethyl-6-(methylamino)-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

(4S)-4,9-dimethyl-6-(methylamino)-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (PubChem CID 129096709) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (4S)-4,9-dimethyl-6-(methylamino)-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.

Molecular Properties

Compound Name(4S)-4,9-dimethyl-6-(methylamino)-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
PubChem CID129096709
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(4S)-4,9-dimethyl-6-(methylamino)-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCNc1nc(=O)c(C)c2n1[C@@H](C)CN(C(C)C)C2=O
InChIInChI=1S/C13H20N4O2/c1-7(2)16-6-8(3)17-10(12(16)19)9(4)11(18)15-13(17)14-5/h7-8H,6H2,1-5H3,(H,14,15,18)/t8-/m0/s1
InChIKeyYDQMCWSAOMYTGZ-QMMMGPOBSA-N
XLogP1.02
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4,9-dimethyl-6-(methylamino)-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The IUPAC name of (4S)-4,9-dimethyl-6-(methylamino)-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (CID 129096709) is (4S)-4,9-dimethyl-6-(methylamino)-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.
What is the SMILES notation for (4S)-4,9-dimethyl-6-(methylamino)-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The canonical SMILES for (4S)-4,9-dimethyl-6-(methylamino)-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is CNc1nc(=O)c(C)c2n1[C@@H](C)CN(C(C)C)C2=O.
What is the InChIKey of (4S)-4,9-dimethyl-6-(methylamino)-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The InChIKey is YDQMCWSAOMYTGZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-7(2)16-6-8(3)17-10(12(16)19)9(4)11(18)15-13(17)14-5/h7-8H,6H2,1-5H3,(H,14,15,18)/t8-/m0/s1.
What are the key properties of (4S)-4,9-dimethyl-6-(methylamino)-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
(4S)-4,9-dimethyl-6-(methylamino)-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione has a molecular weight of 264.33 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,9-dimethyl-6-(methylamino)-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is sourced from PubChem (CID 129096709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).