(2Z)-2-(2-aminoethylidene)-5-methoxy-1H-pyridin-4-amine

C8H13N3O — CID 121430046

IUPAC(2Z)-2-(2-aminoethylidene)-5-methoxy-1H-pyridin-4-amine
SMILESCOC1=CN/C(=C\CN)C=C1N
InChIInChI=1S/C8H13N3O/c1-12-8-5-11-6(2-3-9)4-7(8)10/h2,4-5,11H,3,9-10H2,1H3/b6-2-
InChIKeyPCJCLFPTNREKSU-KXFIGUGUSA-N
MW167.21 g/mol
LogP-0.24
Rot. Bonds2

About (2Z)-2-(2-aminoethylidene)-5-methoxy-1H-pyridin-4-amine

(2Z)-2-(2-aminoethylidene)-5-methoxy-1H-pyridin-4-amine (PubChem CID 121430046) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (2Z)-2-(2-aminoethylidene)-5-methoxy-1H-pyridin-4-amine.

Molecular Properties

Compound Name(2Z)-2-(2-aminoethylidene)-5-methoxy-1H-pyridin-4-amine
PubChem CID121430046
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(2Z)-2-(2-aminoethylidene)-5-methoxy-1H-pyridin-4-amine
SMILESCOC1=CN/C(=C\CN)C=C1N
InChIInChI=1S/C8H13N3O/c1-12-8-5-11-6(2-3-9)4-7(8)10/h2,4-5,11H,3,9-10H2,1H3/b6-2-
InChIKeyPCJCLFPTNREKSU-KXFIGUGUSA-N
XLogP-0.24
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-aminoethylidene)-5-methoxy-1H-pyridin-4-amine?
The IUPAC name of (2Z)-2-(2-aminoethylidene)-5-methoxy-1H-pyridin-4-amine (CID 121430046) is (2Z)-2-(2-aminoethylidene)-5-methoxy-1H-pyridin-4-amine.
What is the SMILES notation for (2Z)-2-(2-aminoethylidene)-5-methoxy-1H-pyridin-4-amine?
The canonical SMILES for (2Z)-2-(2-aminoethylidene)-5-methoxy-1H-pyridin-4-amine is COC1=CN/C(=C\CN)C=C1N.
What is the InChIKey of (2Z)-2-(2-aminoethylidene)-5-methoxy-1H-pyridin-4-amine?
The InChIKey is PCJCLFPTNREKSU-KXFIGUGUSA-N. The full InChI is InChI=1S/C8H13N3O/c1-12-8-5-11-6(2-3-9)4-7(8)10/h2,4-5,11H,3,9-10H2,1H3/b6-2-.
What are the key properties of (2Z)-2-(2-aminoethylidene)-5-methoxy-1H-pyridin-4-amine?
(2Z)-2-(2-aminoethylidene)-5-methoxy-1H-pyridin-4-amine has a molecular weight of 167.21 g/mol, XLogP of -0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2-aminoethylidene)-5-methoxy-1H-pyridin-4-amine is sourced from PubChem (CID 121430046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).