6-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-ethyl-N-methylpyrimidin-4-amine

C15H26N6 — CID 124824334

IUPAC6-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-ethyl-N-methylpyrimidin-4-amine
SMILESCCN(C)c1cc(N2CCN3CCN(C)C[C@H]3C2)ncn1
InChIInChI=1S/C15H26N6/c1-4-19(3)14-9-15(17-12-16-14)21-8-7-20-6-5-18(2)10-13(20)11-21/h9,12-13H,4-8,10-11H2,1-3H3/t13-/m0/s1
InChIKeyIBYHALWLYAZVAH-ZDUSSCGKSA-N
MW290.42 g/mol
LogP0.37
Rot. Bonds3

About 6-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-ethyl-N-methylpyrimidin-4-amine

6-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-ethyl-N-methylpyrimidin-4-amine (PubChem CID 124824334) has the molecular formula C15H26N6 and a molecular weight of 290.42 g/mol. Its IUPAC name is 6-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-ethyl-N-methylpyrimidin-4-amine
PubChem CID124824334
Molecular FormulaC15H26N6
Molecular Weight290.42 g/mol
Exact Mass290.22
IUPAC Name6-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-ethyl-N-methylpyrimidin-4-amine
SMILESCCN(C)c1cc(N2CCN3CCN(C)C[C@H]3C2)ncn1
InChIInChI=1S/C15H26N6/c1-4-19(3)14-9-15(17-12-16-14)21-8-7-20-6-5-18(2)10-13(20)11-21/h9,12-13H,4-8,10-11H2,1-3H3/t13-/m0/s1
InChIKeyIBYHALWLYAZVAH-ZDUSSCGKSA-N
XLogP0.37
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-ethyl-N-methylpyrimidin-4-amine with MolForge

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Related Compounds

6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 753256
4-(4-Methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-ylamine
CID 24798595
4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129180
n4-Isopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 54585780
6-(4-Methylpiperazin-1-yl)-N-neopentylpyrimidin-4-amine
CID 57403350
4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 58227165
2-[4-(Propan-2-yl)piperazin-1-yl]pyrimidine
CID 13375504
N2-isopropyl-N2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 54581939
N4-isopropyl-N4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 54582867
N2-isopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 54587791
(1R,5R)-6-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-6-azabicyclo[3.1.1]heptane
CID 57398176
4,6-Bis(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129182

Frequently Asked Questions

What is the IUPAC name of 6-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-ethyl-N-methylpyrimidin-4-amine (CID 124824334) is 6-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-ethyl-N-methylpyrimidin-4-amine is CCN(C)c1cc(N2CCN3CCN(C)C[C@H]3C2)ncn1.
What is the InChIKey of 6-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is IBYHALWLYAZVAH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N6/c1-4-19(3)14-9-15(17-12-16-14)21-8-7-20-6-5-18(2)10-13(20)11-21/h9,12-13H,4-8,10-11H2,1-3H3/t13-/m0/s1.
What are the key properties of 6-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-ethyl-N-methylpyrimidin-4-amine?
6-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 290.42 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 124824334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).