3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine

C14H17ClN4 — CID 82749017

IUPAC3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine
SMILESCCc1cccnc1CNc1nc(C)c(C)nc1Cl
InChIInChI=1S/C14H17ClN4/c1-4-11-6-5-7-16-12(11)8-17-14-13(15)18-9(2)10(3)19-14/h5-7H,4,8H2,1-3H3,(H,17,19)
InChIKeyIMTVJPPONRRDJK-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.32
Rot. Bonds4

About 3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine

3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine (PubChem CID 82749017) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine
PubChem CID82749017
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine
SMILESCCc1cccnc1CNc1nc(C)c(C)nc1Cl
InChIInChI=1S/C14H17ClN4/c1-4-11-6-5-7-16-12(11)8-17-14-13(15)18-9(2)10(3)19-14/h5-7H,4,8H2,1-3H3,(H,17,19)
InChIKeyIMTVJPPONRRDJK-UHFFFAOYSA-N
XLogP3.32
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine?
The IUPAC name of 3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine (CID 82749017) is 3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for 3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine is CCc1cccnc1CNc1nc(C)c(C)nc1Cl.
What is the InChIKey of 3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine?
The InChIKey is IMTVJPPONRRDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-4-11-6-5-7-16-12(11)8-17-14-13(15)18-9(2)10(3)19-14/h5-7H,4,8H2,1-3H3,(H,17,19).
What are the key properties of 3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine?
3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine has a molecular weight of 276.77 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 82749017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).