2-N,2-N,3-N-trimethyl-3-N-[(2S)-2-morpholin-4-ylpropyl]pyrazine-2,3-diamine

C14H25N5O — CID 164630156

IUPAC2-N,2-N,3-N-trimethyl-3-N-[(2S)-2-morpholin-4-ylpropyl]pyrazine-2,3-diamine
SMILESC[C@@H](CN(C)c1nccnc1N(C)C)N1CCOCC1
InChIInChI=1S/C14H25N5O/c1-12(19-7-9-20-10-8-19)11-18(4)14-13(17(2)3)15-5-6-16-14/h5-6,12H,7-11H2,1-4H3/t12-/m0/s1
InChIKeyFVOJLPHIAZFLPV-LBPRGKRZSA-N
MW279.39 g/mol
LogP0.70
Rot. Bonds5

About 2-N,2-N,3-N-trimethyl-3-N-[(2S)-2-morpholin-4-ylpropyl]pyrazine-2,3-diamine

2-N,2-N,3-N-trimethyl-3-N-[(2S)-2-morpholin-4-ylpropyl]pyrazine-2,3-diamine (PubChem CID 164630156) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-N,2-N,3-N-trimethyl-3-N-[(2S)-2-morpholin-4-ylpropyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N,3-N-trimethyl-3-N-[(2S)-2-morpholin-4-ylpropyl]pyrazine-2,3-diamine
PubChem CID164630156
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-N,2-N,3-N-trimethyl-3-N-[(2S)-2-morpholin-4-ylpropyl]pyrazine-2,3-diamine
SMILESC[C@@H](CN(C)c1nccnc1N(C)C)N1CCOCC1
InChIInChI=1S/C14H25N5O/c1-12(19-7-9-20-10-8-19)11-18(4)14-13(17(2)3)15-5-6-16-14/h5-6,12H,7-11H2,1-4H3/t12-/m0/s1
InChIKeyFVOJLPHIAZFLPV-LBPRGKRZSA-N
XLogP0.70
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,3-N-trimethyl-3-N-[(2S)-2-morpholin-4-ylpropyl]pyrazine-2,3-diamine?
The IUPAC name of 2-N,2-N,3-N-trimethyl-3-N-[(2S)-2-morpholin-4-ylpropyl]pyrazine-2,3-diamine (CID 164630156) is 2-N,2-N,3-N-trimethyl-3-N-[(2S)-2-morpholin-4-ylpropyl]pyrazine-2,3-diamine.
What is the SMILES notation for 2-N,2-N,3-N-trimethyl-3-N-[(2S)-2-morpholin-4-ylpropyl]pyrazine-2,3-diamine?
The canonical SMILES for 2-N,2-N,3-N-trimethyl-3-N-[(2S)-2-morpholin-4-ylpropyl]pyrazine-2,3-diamine is C[C@@H](CN(C)c1nccnc1N(C)C)N1CCOCC1.
What is the InChIKey of 2-N,2-N,3-N-trimethyl-3-N-[(2S)-2-morpholin-4-ylpropyl]pyrazine-2,3-diamine?
The InChIKey is FVOJLPHIAZFLPV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N5O/c1-12(19-7-9-20-10-8-19)11-18(4)14-13(17(2)3)15-5-6-16-14/h5-6,12H,7-11H2,1-4H3/t12-/m0/s1.
What are the key properties of 2-N,2-N,3-N-trimethyl-3-N-[(2S)-2-morpholin-4-ylpropyl]pyrazine-2,3-diamine?
2-N,2-N,3-N-trimethyl-3-N-[(2S)-2-morpholin-4-ylpropyl]pyrazine-2,3-diamine has a molecular weight of 279.39 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,3-N-trimethyl-3-N-[(2S)-2-morpholin-4-ylpropyl]pyrazine-2,3-diamine is sourced from PubChem (CID 164630156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).