(8S)-6,8,9-trimethyl-2,3,4,8-tetrahydro-1H-pyrazino[1,2-c]pyrimidine

C10H17N3 — CID 126756733

IUPAC(8S)-6,8,9-trimethyl-2,3,4,8-tetrahydro-1H-pyrazino[1,2-c]pyrimidine
SMILESCC1=N[C@@H](C)C(C)=C2CNCCN12
InChIInChI=1S/C10H17N3/c1-7-8(2)12-9(3)13-5-4-11-6-10(7)13/h8,11H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyNLSCSLRALLCRFO-QMMMGPOBSA-N
MW179.27 g/mol
LogP0.99
Rot. Bonds

About (8S)-6,8,9-trimethyl-2,3,4,8-tetrahydro-1H-pyrazino[1,2-c]pyrimidine

(8S)-6,8,9-trimethyl-2,3,4,8-tetrahydro-1H-pyrazino[1,2-c]pyrimidine (PubChem CID 126756733) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (8S)-6,8,9-trimethyl-2,3,4,8-tetrahydro-1H-pyrazino[1,2-c]pyrimidine.

Molecular Properties

Compound Name(8S)-6,8,9-trimethyl-2,3,4,8-tetrahydro-1H-pyrazino[1,2-c]pyrimidine
PubChem CID126756733
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(8S)-6,8,9-trimethyl-2,3,4,8-tetrahydro-1H-pyrazino[1,2-c]pyrimidine
SMILESCC1=N[C@@H](C)C(C)=C2CNCCN12
InChIInChI=1S/C10H17N3/c1-7-8(2)12-9(3)13-5-4-11-6-10(7)13/h8,11H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyNLSCSLRALLCRFO-QMMMGPOBSA-N
XLogP0.99
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8S)-6,8,9-trimethyl-2,3,4,8-tetrahydro-1H-pyrazino[1,2-c]pyrimidine?
The IUPAC name of (8S)-6,8,9-trimethyl-2,3,4,8-tetrahydro-1H-pyrazino[1,2-c]pyrimidine (CID 126756733) is (8S)-6,8,9-trimethyl-2,3,4,8-tetrahydro-1H-pyrazino[1,2-c]pyrimidine.
What is the SMILES notation for (8S)-6,8,9-trimethyl-2,3,4,8-tetrahydro-1H-pyrazino[1,2-c]pyrimidine?
The canonical SMILES for (8S)-6,8,9-trimethyl-2,3,4,8-tetrahydro-1H-pyrazino[1,2-c]pyrimidine is CC1=N[C@@H](C)C(C)=C2CNCCN12.
What is the InChIKey of (8S)-6,8,9-trimethyl-2,3,4,8-tetrahydro-1H-pyrazino[1,2-c]pyrimidine?
The InChIKey is NLSCSLRALLCRFO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3/c1-7-8(2)12-9(3)13-5-4-11-6-10(7)13/h8,11H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (8S)-6,8,9-trimethyl-2,3,4,8-tetrahydro-1H-pyrazino[1,2-c]pyrimidine?
(8S)-6,8,9-trimethyl-2,3,4,8-tetrahydro-1H-pyrazino[1,2-c]pyrimidine has a molecular weight of 179.27 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-6,8,9-trimethyl-2,3,4,8-tetrahydro-1H-pyrazino[1,2-c]pyrimidine is sourced from PubChem (CID 126756733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).