2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine

C11H13N5O — CID 78988760

IUPAC2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine
SMILESCOc1cc(CNc2cncc(N)n2)ccn1
InChIInChI=1S/C11H13N5O/c1-17-11-4-8(2-3-14-11)5-15-10-7-13-6-9(12)16-10/h2-4,6-7H,5H2,1H3,(H3,12,15,16)
InChIKeyQIAWUEGRLZLQSS-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.07
Rot. Bonds4

About 2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine

2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine (PubChem CID 78988760) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine
PubChem CID78988760
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine
SMILESCOc1cc(CNc2cncc(N)n2)ccn1
InChIInChI=1S/C11H13N5O/c1-17-11-4-8(2-3-14-11)5-15-10-7-13-6-9(12)16-10/h2-4,6-7H,5H2,1H3,(H3,12,15,16)
InChIKeyQIAWUEGRLZLQSS-UHFFFAOYSA-N
XLogP1.07
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80831217
6-hydrazinyl-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine
CID 80914693
6-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80831001
3-N-ethyl-5-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3,5-diamine
CID 104534447
6-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carbothioamide
CID 62989476
5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine
CID 66343046
2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine
CID 78988973
2-N-benzylpyrazine-2,6-diamine
CID 70838336
5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80831799
4-N-[(2-methoxy-4-pyridinyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80831708
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide
CID 62991116

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine?
The IUPAC name of 2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine (CID 78988760) is 2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine?
The canonical SMILES for 2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine is COc1cc(CNc2cncc(N)n2)ccn1.
What is the InChIKey of 2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine?
The InChIKey is QIAWUEGRLZLQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-17-11-4-8(2-3-14-11)5-15-10-7-13-6-9(12)16-10/h2-4,6-7H,5H2,1H3,(H3,12,15,16).
What are the key properties of 2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine?
2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine has a molecular weight of 231.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine is sourced from PubChem (CID 78988760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).